Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63068 | Target Info | |||
| Target Name | Serum albumin (ALB) | ||||
| Synonyms | Serum albumin | ||||
| Target Type | Successful Target | ||||
| Gene Name | ALB | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cisplatin | Ligand Info | |||||
| Structure Description | Crystal structure of HSA-Myr complex soaked with cisplatin for one week | PDB:7WOJ | ||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [1] |
| PDB Sequence |
VAHRFKDLGE
16 ENFKALVLIA26 FAQYLQQCPF36 EDHVKLVNEV46 TEFAKTCVAD56 ESAENCDLHT 68 LFGDKLCTVA78 TLRETYGEMA88 DCCAKQEPER98 NECFLQHKDD108 NPNLPRLVRP 118 EVDVMCTAFH128 DNEETFLKKY138 LYEIARRHPY148 FYAPELLFFA158 KRYKAAFTEC 168 CQAADKAACL178 LPKLDELRDE188 GKASSAKQRL198 KCASLQKFGE208 RAFKAWAVAR 218 LSQRFPKAEF228 AEVSKLVTDL238 TKVHTECCHG248 DLLECADDRA258 DLAKYICENQ 268 DSISSKLKEC278 CEKPLLEKSH288 CIAEVENDEM298 PADLPSLAAD308 FVESKDVCKN 318 YAEAKDVFLG328 MFLYEYARRH338 PDYSVVLLLR348 LAKTYETTLE358 KCCAAADPHE 368 CYFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY411 TKKVPQVSTP 421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC461 VLHEKTPVSD 471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA511 DICTLSEKER 521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCETC567 FAEEGKKLVA 577 ASQAALG
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GLU86
3.804
MET87
4.492
GLN104
3.683
HIS105
1.817
ARG114
3.311
PHE127
3.839
HIS128
2.142
ILE142
4.827
ARG145
3.513
HIS146
1.943
CYS169
4.865
GLU188
4.771
LYS190
4.619
PHE228
3.287
CYS246
4.692
HIS247
2.304
MET298
2.096
ASP308
3.468
PHE309
3.521
PHE326
4.256
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Diclofenac | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with palmitic acid and diclofenac | PDB:4Z69 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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ILE142
2.997
HIS146
2.823
PHE149
3.469
LEU154
3.456
PHE157
4.255
TYR161
2.534
LEU185
3.828
ARG186
3.168
GLY189
3.305
LYS190
3.106
SER193
4.372
LYS199
3.159
SER202
3.190
LEU203
3.257
PHE206
3.180
GLY207
3.938
ALA210
2.900
PHE211
2.995
TRP214
3.182
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| Ligand Name: Gemfibrozil | Ligand Info | |||||
| Structure Description | Crystal structure of Human Serum albumin in complex with Gemfibrozil | PDB:7QFE | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TX or .4TX2 or .4TX3 or :34TX;style chemicals stick;color identity;select .A:199 or .A:202 or .A:203 or .A:206 or .A:207 or .A:210 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:238 or .A:242 or .A:387 or .A:410 or .A:411 or .A:415 or .A:418 or .A:422 or .A:423 or .A:426 or .A:427 or .A:430 or .A:453 or .A:457 or .A:460 or .A:473 or .A:481 or .A:485 or .A:488 or .A:489 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS199
3.477
SER202
3.762
LEU203
3.548
PHE206
4.538
GLY207
4.997
ALA210
3.993
PHE211
3.021
TRP214
3.615
ALA215
4.236
ARG218
3.548
LEU219
4.590
ARG222
3.880
LEU238
3.738
HIS242
3.138
LEU387
3.958
ARG410
4.334
TYR411
2.453
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| Ligand Name: Propofol | Ligand Info | |||||
| Structure Description | Crystal structure of human serum albumin complexed with the general anesthetic propofol | PDB:1E7A | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PFL or .PFL2 or .PFL3 or :3PFL;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:395 or .A:403 or .A:407 or .A:410 or .A:411 or .A:430 or .A:431 or .A:433 or .A:434 or .A:437 or .A:438 or .A:449 or .A:453 or .A:489 or .A:502 or .A:507 or .A:509 or .A:528 or .A:531 or .A:532 or .A:535 or .A:547 or .A:548 or .A:551 or .A:576 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU387
3.817
ILE388
3.634
ASN391
3.608
CYS392
4.257
PHE395
4.782
PHE403
3.869
LEU407
3.176
ARG410
2.829
TYR411
4.012
LEU430
3.145
GLY431
4.887
VAL433
3.532
GLY434
3.659
CYS437
4.589
CYS438
3.953
ALA449
3.722
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| Ligand Name: Sulfasalazine | Ligand Info | |||||
| Structure Description | Human Serum Albumin, complexed with Sulfasalazine | PDB:6R7S | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [5] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTDCCAKQEP96 ERNECFLQHK106 DDNPNLPRLV116 RPEVDVMCTA 126 FHDNEETFLK136 KYLYEIARRH146 PYFYAPELLF156 FAKRYKAAFT166 ECCQAADKAA 176 CLLPKLDELR186 DEGKASSAKQ196 RLKCASLQKF206 GERAFKAWAV216 ARLSQRFPKA 226 EFAEVSKLVT236 DLTKVHTECC246 HGDLLECADD256 RADLAKYICE266 NQDSISSKLK 276 ECCEKPLLEK286 SHCIAEVEND296 EMPADLPSLA306 ADFVESKDVC316 KNYAEAKDVF 326 LGMFLYEYAR336 RHPDYSVVLL346 LRLAKTYETT356 LEKCCAAADP366 HECYAKVFDE 376 FKPLVEEPQN386 LIKQNCELFE396 QLGEYKFQNA406 LLVRYTKKVP416 QVSTPTLVEV 426 SRNLGKVGSK436 CCKHPEAKRM446 PCAEDYLSVV456 LNQLCVLHEK466 TPVSDRVTKC 476 CTESLVNRRP486 CFSALEVDET496 YVPKEFNAET506 FTFHADICTL516 SEKERQIKKQ 526 TALVELVKHK536 PKATKEQLKA546 VMDDFAAFVE556 KCCKADDKET566 CFAEEGKKLV 576 AASQAAL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAS or .SAS2 or .SAS3 or :3SAS;style chemicals stick;color identity;select .A:150 or .A:195 or .A:198 or .A:199 or .A:202 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:238 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:288 or .A:290 or .A:291 or .A:343 or .A:394 or .A:401 or .A:402 or .A:405 or .A:406 or .A:409 or .A:410 or .A:413 or .A:420 or .A:506 or .A:507 or .A:508 or .A:509 or .A:513 or .A:521 or .A:524 or .A:525 or .A:527 or .A:528 or .A:529 or .A:531 or .A:539 or .A:540 or .A:541 or .A:544 or .A:545 or .A:548 or .A:551 or .A:552 or .A:555; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR150
4.446
LYS195
4.980
LEU198
3.590
LYS199
3.092
SER202
3.263
PHE211
3.515
TRP214
3.146
ALA215
4.530
ARG218
3.209
LEU219
3.704
ARG222
3.946
LEU238
3.609
ARG257
3.413
LEU260
3.656
ALA261
3.721
ILE264
3.148
SER287
3.192
HIS288
4.903
ILE290
3.685
ALA291
3.398
VAL343
4.819
LEU394
3.721
TYR401
4.356
LYS402
3.599
ASN405
2.795
ALA406
3.769
VAL409
3.387
ARG410
3.306
LYS413
3.983
THR420
4.487
THR506
2.755
PHE507
3.549
THR508
2.978
PHE509
3.997
ILE513
3.973
ARG521
4.747
LYS524
3.268
LYS525
3.241
THR527
3.772
ALA528
3.402
LEU529
3.743
GLU531
3.397
ALA539
4.904
THR540
4.378
LYS541
3.277
LEU544
3.579
LYS545
3.435
MET548
3.070
PHE551
3.283
ALA552
3.193
VAL555
3.522
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| Ligand Name: Aripiprazole | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with aripiprazole | PDB:6A7P | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [6] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTVGEMADC90 CAKQEPERNE100 CFLQHKDDNP110 NLPRLVRPEV 120 DVMCTAFHDN130 EETFLKKYLY140 EIARRHPYFY150 APELLFFAKR160 YKAAFTECCQ 170 AADKAACLLP180 KLDELRDEGK190 ASSAKQRLKC200 ASLQKFGERA210 FKAWAVARLS 220 QRFPKAEFAE230 VSKLVTDLTK240 VHTECCHGDL250 LECADDRADL260 AKYICENQDS 270 ISSKLKECCE280 KPLLEKSHCI290 AEVENDEMPA300 DLPSLAVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9SC or .9SC2 or .9SC3 or :39SC;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:395 or .A:403 or .A:411 or .A:414 or .A:415 or .A:418 or .A:422 or .A:423 or .A:426 or .A:427 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:457 or .A:460 or .A:485 or .A:488 or .A:489 or .A:491; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU387
3.753
ILE388
3.494
ASN391
3.255
CYS392
3.564
PHE395
4.185
PHE403
3.351
TYR411
3.195
LYS414
3.499
VAL415
3.890
VAL418
4.160
THR422
3.622
LEU423
3.578
VAL426
3.279
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phenylbutazone | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and phenylbutazone | PDB:2BXP | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P1Z or .P1Z2 or .P1Z3 or :3P1Z;style chemicals stick;color identity;select .A:211 or .A:214 or .A:218 or .A:219 or .A:223 or .A:234 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Halothane | Ligand Info | |||||
| Structure Description | Crystal structure of human serum albumin complexed with the general anesthetic halothane | PDB:1E7B | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [4] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HLT or .HLT2 or .HLT3 or :3HLT;style chemicals stick;color identity;select .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:324 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:430 or .A:431 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:482; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG209
3.079
ALA210
4.719
LYS212
3.932
ALA213
3.704
VAL216
4.270
ASP324
3.264
LEU327
3.815
GLY328
3.064
LEU331
4.173
LEU347
3.867
ALA350
3.270
LYS351
3.913
GLU354
3.170
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Indomethacin | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate, azapropazone and indomethacin | PDB:2BXK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKEEQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMN or .IMN2 or .IMN3 or :3IMN;style chemicals stick;color identity;select .A:198 or .A:199 or .A:202 or .A:203 or .A:206 or .A:207 or .A:210 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:238 or .A:242 or .A:343 or .A:451 or .A:454; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Levothyroxine | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) and myristic acid (tetradecanoic acid) | PDB:1HK4 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [8] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T44 or .T442 or .T443 or :3T44;style chemicals stick;color identity;select .A:184 or .A:187 or .A:188 or .A:190 or .A:191 or .A:195 or .A:425 or .A:429 or .A:432 or .A:433 or .A:436 or .A:451 or .A:452 or .A:455 or .A:456; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Nitric oxide | Ligand Info | |||||
| Structure Description | Crystal structure of human serum albumin and nitrosylruthenium complex adduct | PDB:7DL4 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [9] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NO or .NO2 or .NO3 or :3NO;style chemicals stick;color identity;select .A:118 or .A:122 or .A:123 or .A:126 or .A:134 or .A:146 or .A:190; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Warfarin | Ligand Info | |||||
| Structure Description | Human Serum Albumin Complexed With Myristic Acid and the S-(-) enantiomer of warfarin | PDB:1HA2 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [10] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LGL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SWF or .SWF2 or .SWF3 or :3SWF;style chemicals stick;color identity;select .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Fructose | Ligand Info | |||||
| Structure Description | HSA-fructose complex | PDB:4IW1 | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | No | [11] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTDCCAKQEP96 ERNECFLQHK106 DDNPNLPRLV116 RPEVDVMCTA 126 FHDNEETFLK136 KYLYEIARRH146 PYFYAPELLF156 FAKRYKAAFT166 ECCQAADKAA 176 CLLPKLDELR186 DEGKASSAKQ196 RLKCASLQKF206 GERAFKAWAV216 ARLSQRFPKA 226 EFAEVSKLVT236 DLTKVHTECC246 HGDLLECADD256 RADLAKYICE266 NQDSISSKLK 276 ECCEKPLLEK286 SHCIAEVEND296 EMPADLPSLA306 ADFVESKDVC316 KNYAEAKDVF 326 LGMFLYEYAR336 RHPDYSVVLL346 LRLAKTYETT356 LEKCCAAADP366 HECYAKVFDE 376 FKPLVEEPQN386 LIKQNCELFE396 QLGEYKFQNA406 LLVRYTKKVP416 QVSTPTLVEV 426 SRNLGKVGSK436 CCKHPEAKRM446 PCAEDYLSVV456 LNQLCVLHEK466 TPVSDRVTKC 476 CTESLVNRRP486 CFSALEVDET496 YVPKEFNAET506 FTFHADICTL516 SEKERQIKKQ 526 TALVELVKHK536 PKATKEQLKA546 VMDDFAAFVE556 KCCKADDKET566 CFAEEGKKLV 576
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUD or .FUD2 or .FUD3 or :3FUD;style chemicals stick;color identity;select .A:195 or .A:199 or .A:218 or .A:222 or .A:291 or .A:292 or .A:293; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Oxyphenbutazone | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and oxyphenbutazone | PDB:2BXO | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OPB or .OPB2 or .OPB3 or :3OPB;style chemicals stick;color identity;select .A:199 or .A:211 or .A:214 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:258 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291 or .A:394 or .A:398 or .A:401 or .A:402 or .A:405 or .A:406 or .A:409 or .A:541 or .A:544 or .A:545 or .A:548 or .A:549; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS199
3.292
PHE211
4.379
TRP214
3.837
LEU219
3.457
ARG222
3.177
PHE223
3.414
LEU238
3.594
VAL241
4.591
HIS242
2.814
ARG257
2.594
ALA258
4.661
LEU260
3.591
ALA261
3.423
ILE264
4.265
SER287
3.374
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Zidovudine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and AZT | PDB:3B9L | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [12] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AZZ or .AZZ2 or .AZZ3 or :3AZZ;style chemicals stick;color identity;select .A:115 or .A:142 or .A:146 or .A:149 or .A:150 or .A:153 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:192 or .A:193 or .A:195 or .A:196 or .A:199 or .A:241 or .A:242 or .A:245 or .A:253 or .A:257 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU115
3.119
ILE142
3.073
HIS146
3.237
PHE149
2.881
TYR150
3.136
GLU153
2.982
LEU154
4.213
PHE157
4.727
TYR161
2.689
LEU185
3.943
ARG186
3.209
GLY189
3.416
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Iodipamide | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and iodipamide | PDB:2BXN | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IDB or .IDB2 or .IDB3 or :3IDB;style chemicals stick;color identity;select .A:184 or .A:187 or .A:188 or .A:191 or .A:195 or .A:198 or .A:199 or .A:202 or .A:210 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291 or .A:429 or .A:432 or .A:451 or .A:452 or .A:454 or .A:455 or .A:456 or .A:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU184
4.648
ASP187
3.082
GLU188
3.600
ALA191
3.650
LYS195
3.689
LEU198
3.624
LYS199
2.907
SER202
2.827
ALA210
4.573
PHE211
3.650
TRP214
3.119
ALA215
4.703
ARG218
3.538
LEU219
3.395
PHE223
4.152
LEU238
3.672
|
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| Ligand Name: Etoposide | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with etoposide | PDB:4LB9 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [13] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 ALG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVP or .EVP2 or .EVP3 or :3EVP;style chemicals stick;color identity;select .A:103 or .A:104 or .A:108 or .A:146 or .A:147 or .A:148 or .A:149 or .A:193 or .A:196 or .A:197 or .A:200 or .A:201 or .A:204 or .A:245 or .A:246 or .A:247 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ibuprofen | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with ibuprofen | PDB:2BXG | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [7] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IBP or .IBP2 or .IBP3 or :3IBP;style chemicals stick;color identity;select .A:206 or .A:209 or .A:210 or .A:213 or .A:327 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:480 or .A:481 or .A:482 or .A:483 or .A:485 or .A:488 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE206
4.042
ARG209
3.840
ALA210
4.282
ALA213
3.719
LEU327
4.178
LEU331
4.756
LEU347
4.429
ALA350
3.541
LYS351
2.749
GLU354
3.567
LEU387
3.688
ILE388
4.395
ASN391
3.472
CYS392
4.607
PHE403
4.576
LEU407
4.223
|
|||||
| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and aspirin | PDB:2I2Z | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [14] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLCASL203 QKFGERAFKA 213 WAVARLSQRF223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY 263 ICENQDSISS273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK 313 DVCKNYAEAK323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA 363 ADPHECYAKV373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK 413 KVPQVSTPTL423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL 463 HEKTPVSDRV473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI 513 CTLSEKERQI523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD 563 KETCFAEEGK573 KLVAASQAAL583 G
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAL or .SAL2 or .SAL3 or :3SAL;style chemicals stick;color identity;select .A:219 or .A:222 or .A:223 or .A:238 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Teniposide | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with teniposide | PDB:4L9Q | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [13] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9TP or .9TP2 or .9TP3 or :39TP;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:126 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:145 or .A:146 or .A:149 or .A:157 or .A:161 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.782
VAL116
3.673
ARG117
3.096
PRO118
3.897
ALA126
3.652
PHE134
3.328
LYS137
3.240
TYR138
3.195
GLU141
3.491
ILE142
3.162
ARG145
4.096
|
|||||
| Ligand Name: Idarubicin | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with idarubicin | PDB:4LB2 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [13] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DM5 or .DM52 or .DM53 or :3DM5;style chemicals stick;color identity;select .A:36 or .A:37 or .A:115 or .A:116 or .A:117 or .A:118 or .A:122 or .A:123 or .A:126 or .A:133 or .A:134 or .A:135 or .A:137 or .A:138 or .A:141 or .A:142 or .A:161 or .A:165 or .A:182; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Diazepam | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with diazepam | PDB:2BXF | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [7] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DZP or .DZP2 or .DZP3 or :3DZP;style chemicals stick;color identity;select .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:411 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:450 or .A:453 or .A:485 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Diflunisal | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with diflunisal | PDB:2BXE | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [7] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1FL or .1FL2 or .1FL3 or :31FL;style chemicals stick;color identity;select .A:150 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:264 or .A:290 or .A:291 or .A:293 or .A:327 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:433 or .A:434 or .A:438 or .A:453 or .A:479 or .A:480 or .A:481 or .A:482 or .A:483 or .A:485 or .A:488 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR150
2.194
PHE206
3.404
ARG209
4.289
ALA210
3.741
ALA213
3.773
TRP214
4.806
ARG218
4.324
LEU219
3.320
ARG222
2.500
PHE223
3.709
LEU238
3.513
VAL241
4.338
HIS242
3.721
ARG257
2.699
LEU260
3.213
ILE264
4.048
ILE290
3.422
ALA291
3.652
VAL293
4.303
LEU327
4.556
LEU331
3.882
LEU347
3.328
ALA350
3.192
LYS351
4.200
GLU354
3.451
LEU387
3.591
ILE388
3.732
ASN391
3.185
CYS392
4.302
PHE403
3.781
LEU407
4.018
ARG410
2.881
TYR411
2.543
LYS414
3.300
LEU430
3.197
VAL433
3.940
GLY434
3.251
CYS438
3.808
LEU453
3.446
GLU479
4.974
SER480
3.394
LEU481
2.466
VAL482
2.919
ASN483
4.638
ARG485
4.718
PHE488
4.511
SER489
3.250
|
|||||
| Ligand Name: Fusidic acid | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with fusidic acid | PDB:2VUF | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | No | [15] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR114 LVRPEVDVMC 124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA164 FTECCQAADK 174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW214 AVARLSQRFP 224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI264 CENQDSISSK 274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD314 VCKNYAEAKD 324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA364 DPHECYAKVF 374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK414 VPQVSTPTLV 424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH464 EKTPVSDRVT 474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC514 TLSEKERQIK 524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK564 ETCFAE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUA or .FUA2 or .FUA3 or :3FUA;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:146 or .A:149 or .A:161 or .A:165 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190 or .A:513 or .A:514 or .A:516 or .A:521 or .A:524 or .A:525 or .A:551 or .A:552 or .A:555 or .A:556 or .A:559 or .A:560; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.181
VAL116
4.247
ARG117
2.580
PRO118
4.003
MET123
3.379
PHE134
3.214
LYS137
3.432
TYR138
3.139
GLU141
4.215
ILE142
3.688
HIS146
3.475
PHE149
4.079
TYR161
3.123
PHE165
4.933
LEU182
4.096
ASP183
4.623
|
|||||
| Ligand Name: Lidocaine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human serum albumin complexed with Lidocaine | PDB:3JQZ | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [16] |
| PDB Sequence |
DAHKSEVAHR
10 FKDLGEENFK20 ALVLIAFAQY30 LQQCPFEDHV40 KLVNEVTEFA50 KTCVADESAE 60 NCDKSLHTLF70 GDKLCTVATL80 RETYGEMADC90 CAKQEPERNE100 CFLQHKDDNP 110 NLPRLVRPEV120 DVMCTAFHDN130 EETFLKKYLY140 EIARRHPYFY150 APELLFFAKR 160 YKAAFTECCQ170 AADKAACLLP180 KLDELRDEGK190 ASSAKQRLKC200 ASLQKFGERA 210 FKAWAVARLS220 QRFPKAEFAE230 VSKLVTDLTK240 VHTECCHGDL250 LECADDRADL 260 AKYICENQDS270 ISSKLKECCE280 KPLLEKSHCI290 AEVENDEMPA300 DLPSLAADFV 310 ESKDVCKNYA320 EAKDVFLGMF330 LYEYARRHPD340 YSVVLLLRLA350 KTYETTLEKC 360 CAAADPHECY370 AKVFDEFKPL380 VEEPQNLIKQ390 NCELFEQLGE400 YKFQNALLVR 410 YTKKVPQVST420 PTLVEVSRNL430 GKVGSKCCKH440 PEAKRMPCAE450 DYLSVVLNQL 460 CVLHEKTPVS470 DRVTKCCTES480 LVNRRPCFSA490 LEVDETYVPK500 EFNAETFTFH 510 ADICTLSEKE520 RQIKKQTALV530 ELVKHKPKAT540 KEQLKAVMDD550 FAAFVEKCCK 560 ADDKETCFAE570 EGKKLVAASQ580 AA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LQZ or .LQZ2 or .LQZ3 or :3LQZ;style chemicals stick;color identity;select .A:114 or .A:186 or .A:187 or .A:190 or .A:428 or .A:432 or .A:519; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Naproxen | Ligand Info | |||||
| Structure Description | Structure of human serum albumin with S-naproxen and the GA module | PDB:2VDB | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [17] |
| PDB Sequence |
EVAHRFKDLG
15 EENFKALVLI25 AFAQYLQQCP35 FEDHVKLVNE45 VTEFAKTCVA55 DESAENCDKS 65 LHTLFGDKLC75 TVATLEMADC90 CAKQEPERNE100 CFLQHKDDNP110 NLPRLVRPEV 120 DVMCTAFHDN130 EETFLKKYLY140 EIARRHPYFY150 APELLFFAKR160 YKAAFTECCQ 170 AADKAACLLP180 KLDELRDEGK190 ASSAKQRLKC200 ASLQKFGERA210 FKAWAVARLS 220 QRFPKAEFAE230 VSKLVTDLTK240 VHTECCHGDL250 LECADDRADL260 AKYICENQDS 270 ISSKLKECCE280 KPLLEKSHCI290 AEVENDEMPA300 DLPSLAADFV310 ESKDVCKNYA 320 EAKDVFLGMF330 LYEYARRHPD340 YSVVLLLRLA350 KTYETTLEKC360 CAAADPHECY 370 AKVFDEFKPL380 VEEPQNLIKQ390 NCELFEQLGE400 YKFQNALLVR410 YTKKVPQVST 420 PTLVEVSRNL430 GKVGSKCCKH440 PEAKRMPCAE450 DYLSVVLNQL460 CVLHEKTPVS 470 DRVTKCCTES480 LVNRRPCFSA490 LEVDETYVPK500 EFNAETFTFH510 ADICTLSEKE 520 RQIKKQTALV530 ELVKHKPKAT540 KEQLKAVMDD550 FAAFVEKCCK560 ADDKETCFAE 570 EGKKLVAASQ580 AALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NPS or .NPS2 or .NPS3 or :3NPS;style chemicals stick;color identity;select .A:115 or .A:142 or .A:145 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Phenylbutyrate | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with sodium 4-phenylbutyrate | PDB:5YOQ | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [18] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 K
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLT or .CLT2 or .CLT3 or :3CLT;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:488 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Myristic acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | PDB:6YG9 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [19] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 APHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAET566 CFAEEGKKLV 576 AASQAALG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYR or .MYR2 or .MYR3 or :3MYR;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186 or .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:214 or .A:216 or .A:218 or .A:219 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:391 or .A:401 or .A:403 or .A:405 or .A:407 or .A:411 or .A:415 or .A:418 or .A:422 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:473 or .A:482 or .A:485 or .A:486 or .A:488 or .A:489 or .A:491 or .A:502 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:535 or .A:545 or .A:575 or .A:576 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
4.454
VAL116
4.923
ARG117
2.755
PRO118
4.735
MET123
3.674
PHE134
4.498
LEU135
4.124
TYR138
3.505
LEU139
4.524
ILE142
3.446
LEU154
4.766
PHE157
4.593
ALA158
3.619
TYR161
3.546
PHE165
3.207
LEU182
3.801
ARG186
3.430
PHE206
4.883
ARG209
3.763
ALA210
3.378
LYS212
4.329
ALA213
3.485
TRP214
4.505
VAL216
3.842
ARG218
4.196
LEU219
4.087
PHE223
4.530
LEU238
3.539
VAL241
4.720
HIS242
4.304
ARG257
3.409
LEU260
3.860
ILE264
3.620
SER287
3.207
ILE290
3.551
ALA291
3.926
ASP324
3.185
VAL325
4.356
LEU327
3.605
GLY328
3.671
LEU331
4.642
SER342
2.777
VAL344
3.389
LEU345
3.863
LEU347
3.838
ARG348
2.717
ALA350
3.641
LYS351
3.885
GLU354
3.265
PRO384
3.774
LEU387
3.336
ILE388
3.779
ASN391
3.897
TYR401
3.160
PHE403
4.200
ASN405
3.417
LEU407
4.699
TYR411
3.142
VAL415
3.827
VAL418
3.619
THR422
4.826
LEU423
3.820
VAL426
3.530
LEU430
3.454
VAL433
4.299
GLY434
4.207
MET446
3.648
ALA449
3.774
GLU450
4.242
LEU453
3.630
LEU457
3.860
LEU460
3.489
VAL473
3.594
VAL482
4.960
ARG485
2.815
PRO486
4.562
PHE488
3.640
SER489
3.648
LEU491
4.876
PHE502
3.739
PHE507
3.643
PHE509
3.672
LYS525
3.292
ALA528
3.739
LEU529
3.816
LEU532
3.602
HIS535
4.096
LYS545
3.270
LEU575
3.929
VAL576
4.033
SER579
3.702
GLN580
4.657
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Caprylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of plasma-derived human serum albumin | PDB:5Z0B | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [20] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAALG584
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OCA or .OCA2 or .OCA3 or :3OCA;style chemicals stick;color identity;select .A:23 or .A:26 or .A:27 or .A:46 or .A:49 or .A:66 or .A:69 or .A:70 or .A:73 or .A:209 or .A:212 or .A:213 or .A:216 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:324 or .A:327 or .A:328 or .A:331 or .A:350 or .A:351 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL23
4.652
ALA26
4.328
PHE27
4.357
VAL46
3.621
PHE49
4.349
LEU66
4.257
LEU69
3.722
PHE70
3.506
LYS73
3.726
ARG209
4.068
LYS212
4.252
ALA213
3.683
VAL216
4.379
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of plasma-derived human serum albumin | PDB:5Z0B | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [20] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAALG584
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:31 or .A:32 or .A:33 or .A:35 or .A:36 or .A:38 or .A:39 or .A:77 or .A:81 or .A:82 or .A:83 or .A:84 or .A:140 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Linoleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of plasma-derived human serum albumin | PDB:5Z0B | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [20] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAALG584
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EIC or .EIC2 or .EIC3 or :3EIC;style chemicals stick;color identity;select .A:195 or .A:198 or .A:199 or .A:202 or .A:211 or .A:214 or .A:215 or .A:218 or .A:222 or .A:238 or .A:242 or .A:291 or .A:447 or .A:448 or .A:451 or .A:452 or .A:455; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Azapropazone | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate, azapropazone and indomethacin | PDB:2BXK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKEEQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AZQ or .AZQ2 or .AZQ3 or :3AZQ;style chemicals stick;color identity;select .A:199 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH cis-9-OCTADECENOIC ACID (OLEIC ACID) | PDB:1GNI | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:27 or .A:46 or .A:49 or .A:66 or .A:69 or .A:70 or .A:117 or .A:123 or .A:135 or .A:138 or .A:139 or .A:142 or .A:146 or .A:149 or .A:150 or .A:152 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:228 or .A:238 or .A:241 or .A:242 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:260 or .A:264 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:290 or .A:291 or .A:324 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:401 or .A:403 or .A:405 or .A:407 or .A:410 or .A:411 or .A:414 or .A:415 or .A:418 or .A:419 or .A:422 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:445 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:463 or .A:464 or .A:467 or .A:469 or .A:473 or .A:480 or .A:481 or .A:482 or .A:485 or .A:486 or .A:488 or .A:489 or .A:502 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:535 or .A:536 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
4.436
ARG10
3.785
LEU14
4.173
PHE19
4.559
LEU22
4.352
VAL23
3.978
PHE27
4.791
VAL46
3.516
PHE49
4.604
LEU66
4.287
LEU69
3.339
PHE70
4.039
ARG117
3.232
MET123
3.706
LEU135
4.845
TYR138
3.325
LEU139
4.662
ILE142
3.528
HIS146
3.671
PHE149
3.697
TYR150
2.494
PRO152
3.722
LEU154
4.173
PHE157
3.717
ALA158
3.642
TYR161
3.340
PHE165
4.284
LEU182
4.588
LEU185
4.851
ARG186
3.758
GLY189
3.381
LYS190
4.623
SER193
4.090
LYS199
4.485
PHE206
4.387
ARG209
3.865
ALA210
3.600
LYS212
4.212
ALA213
3.986
VAL216
4.352
ARG218
3.867
LEU219
3.930
ARG222
3.105
PHE223
4.374
PHE228
4.588
LEU238
4.208
VAL241
4.369
HIS242
3.573
LEU250
4.357
LEU251
3.759
ALA254
3.685
ARG257
3.196
ALA258
4.031
LEU260
3.828
ILE264
4.250
LEU283
3.742
LEU284
4.116
LYS286
4.946
SER287
2.813
HIS288
4.936
ILE290
3.587
ALA291
3.952
ASP324
3.598
LEU327
3.695
GLY328
3.968
LEU331
4.333
SER342
2.989
VAL344
3.772
LEU345
4.198
LEU347
4.352
ARG348
2.785
ALA350
3.871
LYS351
4.220
GLU354
4.532
PRO384
4.004
LEU387
3.798
ILE388
3.639
ASN391
3.801
CYS392
3.550
TYR401
2.802
PHE403
4.200
ASN405
4.063
LEU407
4.465
ARG410
3.374
TYR411
2.661
LYS414
4.890
VAL415
4.189
VAL418
3.396
SER419
3.739
THR422
3.718
LEU423
4.226
VAL426
4.135
LEU430
3.804
VAL433
4.092
GLY434
3.734
CYS437
3.563
CYS438
4.160
ARG445
3.947
MET446
4.357
ALA449
3.453
GLU450
4.178
LEU453
3.969
LEU457
3.742
LEU460
3.756
LEU463
3.659
HIS464
4.008
THR467
3.990
VAL469
4.158
VAL473
4.607
SER480
3.055
LEU481
4.027
VAL482
4.144
ARG485
2.906
PRO486
4.714
PHE488
3.737
SER489
2.938
PHE502
4.559
PHE507
4.061
PHE509
4.738
LYS525
2.778
ALA528
3.998
LEU529
4.024
LEU532
4.258
HIS535
3.488
LYS536
3.843
VAL547
3.928
MET548
3.721
PHE551
3.341
ALA552
3.908
LEU575
3.835
VAL576
3.877
SER579
3.743
GLN580
3.563
LEU583
3.670
|
|||||
| Ligand Name: D-glucose | Ligand Info | |||||
| Structure Description | HSA-glucose complex | PDB:4IW2 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [11] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLO or .GLO2 or .GLO3 or :3GLO;style chemicals stick;color identity;select .A:195 or .A:199 or .A:218 or .A:222 or .A:291 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Biliverdine Ix Alpha | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with 4Z,15E-bilirubin-IX-alpha | PDB:2VUE | ||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [15] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR114 LVRPEVDVMC 124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA164 FTECCQAADK 174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW214 AVARLSQRFP 224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI264 CENQDSISSK 274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD314 VCKNYAEAKD 324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA364 DPHECYAKVF 374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK414 VPQVSTPTLV 424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH464 EKTPVSDRVT 474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC514 TLSEKERQIK 524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK564 ETCFAEEGKK 574 LVAAS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BLA or .BLA2 or .BLA3 or :3BLA;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:122 or .A:123 or .A:126 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:145 or .A:146 or .A:149 or .A:157 or .A:161 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
2.753
VAL116
3.694
ARG117
2.690
PRO118
3.721
VAL122
3.828
MET123
3.263
ALA126
4.187
PHE134
3.537
LYS137
4.613
TYR138
2.908
GLU141
4.781
|
|||||
| Ligand Name: Lauric acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH DODECANOIC ACID (LAURIC ACID) | PDB:1E7F | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [22] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DAO or .DAO2 or .DAO3 or :3DAO;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:26 or .A:46 or .A:49 or .A:66 or .A:69 or .A:70 or .A:73 or .A:115 or .A:117 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:150 or .A:152 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186 or .A:199 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:251 or .A:254 or .A:257 or .A:258 or .A:260 or .A:264 or .A:283 or .A:284 or .A:287 or .A:290 or .A:291 or .A:324 or .A:327 or .A:328 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:391 or .A:401 or .A:403 or .A:405 or .A:410 or .A:411 or .A:415 or .A:418 or .A:422 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:480 or .A:482 or .A:485 or .A:486 or .A:488 or .A:489 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
4.497
ARG10
3.864
LEU14
3.882
PHE19
3.273
LEU22
4.136
VAL23
3.710
ALA26
4.477
VAL46
3.733
PHE49
3.440
LEU66
3.611
LEU69
3.480
PHE70
3.516
LYS73
3.963
LEU115
4.404
ARG117
3.022
MET123
4.788
PHE134
4.651
LEU135
3.190
TYR138
3.551
LEU139
3.714
ILE142
4.991
TYR150
2.671
PRO152
3.874
ALA158
4.000
TYR161
3.741
PHE165
3.848
LEU182
4.224
ARG186
4.488
LYS199
4.611
ARG209
3.370
ALA210
4.103
LYS212
4.152
ALA213
3.814
VAL216
4.860
ARG218
3.343
LEU219
3.709
ARG222
3.662
PHE223
4.549
LEU238
3.519
VAL241
4.878
HIS242
3.533
LEU251
3.618
ALA254
3.759
ARG257
2.641
ALA258
4.087
LEU260
4.359
ILE264
4.239
LEU283
3.626
LEU284
3.791
SER287
2.425
ILE290
3.974
ALA291
3.538
ASP324
4.153
LEU327
4.064
GLY328
3.929
SER342
2.979
VAL344
3.411
LEU345
4.161
LEU347
4.036
ARG348
2.675
ALA350
4.130
LYS351
4.277
GLU354
3.976
PRO384
3.666
LEU387
3.576
ILE388
3.600
ASN391
4.067
TYR401
2.954
PHE403
4.996
ASN405
3.673
ARG410
3.084
TYR411
2.665
VAL415
3.505
VAL418
3.915
THR422
4.462
LEU423
4.578
VAL426
3.872
LEU430
3.702
VAL433
3.600
GLY434
3.910
MET446
4.423
ALA449
4.228
GLU450
4.196
LEU453
3.751
LEU457
3.974
LEU460
3.568
SER480
4.315
VAL482
4.300
ARG485
3.394
PRO486
4.840
PHE488
3.822
SER489
2.778
PHE507
3.495
PHE509
4.705
LYS525
2.908
ALA528
4.401
LEU529
4.226
LEU532
3.559
VAL547
3.580
MET548
3.471
PHE551
3.613
ALA552
3.966
LEU575
4.604
VAL576
4.298
SER579
3.919
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Decanoic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH DECANOIC ACID (CAPRIC ACID) | PDB:1E7E | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [22] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DKA or .DKA2 or .DKA3 or :3DKA;style chemicals stick;color identity;select .A:10 or .A:14 or .A:22 or .A:117 or .A:123 or .A:135 or .A:138 or .A:139 or .A:142 or .A:146 or .A:150 or .A:152 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186 or .A:187 or .A:190 or .A:191 or .A:193 or .A:194 or .A:195 or .A:198 or .A:199 or .A:202 or .A:206 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:228 or .A:232 or .A:236 or .A:238 or .A:241 or .A:242 or .A:251 or .A:254 or .A:257 or .A:258 or .A:260 or .A:264 or .A:283 or .A:284 or .A:287 or .A:290 or .A:291 or .A:324 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:401 or .A:402 or .A:405 or .A:410 or .A:411 or .A:415 or .A:418 or .A:423 or .A:426 or .A:429 or .A:430 or .A:432 or .A:433 or .A:436 or .A:446 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:456 or .A:457 or .A:459 or .A:460 or .A:479 or .A:480 or .A:481 or .A:482 or .A:485 or .A:486 or .A:488 or .A:489 or .A:507 or .A:525 or .A:528 or .A:529 or .A:532 or .A:547 or .A:548 or .A:551 or .A:552; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG10
3.959
LEU14
4.032
LEU22
4.665
ARG117
2.954
MET123
4.218
LEU135
3.577
TYR138
3.506
LEU139
3.905
ILE142
4.881
HIS146
4.229
TYR150
2.687
PRO152
4.197
ALA158
4.106
TYR161
3.339
PHE165
4.359
LEU182
4.154
ARG186
4.158
ASP187
3.556
LYS190
3.294
ALA191
4.012
SER193
3.879
ALA194
3.838
LYS195
3.551
LEU198
3.656
LYS199
3.893
SER202
3.594
PHE206
3.010
ARG209
3.731
ALA210
3.571
PHE211
4.069
LYS212
4.172
ALA213
3.850
TRP214
3.733
VAL216
4.376
ARG218
4.648
LEU219
3.602
ARG222
3.578
PHE223
4.943
PHE228
4.753
SER232
4.437
THR236
4.901
LEU238
4.051
VAL241
4.639
HIS242
3.876
LEU251
4.069
ALA254
3.451
ARG257
3.252
ALA258
4.275
LEU260
3.660
ILE264
4.269
LEU283
3.101
LEU284
3.673
SER287
2.511
ILE290
3.711
ALA291
3.686
ASP324
3.977
LEU327
3.713
GLY328
4.128
LEU331
4.829
SER342
3.074
VAL344
3.635
LEU345
4.446
LEU347
4.105
ARG348
3.062
ALA350
4.297
LYS351
4.364
GLU354
4.235
PRO384
3.569
LEU387
3.627
ILE388
3.486
TYR401
3.334
LYS402
3.864
ASN405
3.947
ARG410
2.817
TYR411
2.617
VAL415
3.510
VAL418
4.149
LEU423
3.769
VAL426
3.796
ASN429
3.685
LEU430
3.927
LYS432
4.210
VAL433
4.561
LYS436
2.893
MET446
4.467
ALA449
3.675
GLU450
4.151
ASP451
4.813
TYR452
4.615
LEU453
3.465
SER454
3.276
VAL455
4.619
VAL456
4.403
LEU457
3.836
GLN459
3.262
LEU460
3.696
GLU479
4.498
SER480
2.919
LEU481
2.704
VAL482
3.745
ARG485
3.351
PRO486
4.801
PHE488
3.595
SER489
2.973
PHE507
3.878
LYS525
3.167
ALA528
3.911
LEU529
3.874
LEU532
3.468
VAL547
4.596
MET548
3.404
PHE551
4.049
ALA552
4.562
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-hydroxy-3,5-diiodobenzoic acid | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and 3,5-diiodosalicylic acid | PDB:2BXL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DIU or .DIU2 or .DIU3 or :3DIU;style chemicals stick;color identity;select .A:199 or .A:219 or .A:223 or .A:238 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Arachidonic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH cis-5,8,11,14-EICOSATETRAENOIC ACID (ARACHIDONIC ACID) | PDB:1GNJ | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [21] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACD or .ACD2 or .ACD3 or :3ACD;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:26 or .A:46 or .A:49 or .A:66 or .A:69 or .A:70 or .A:117 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:146 or .A:149 or .A:150 or .A:152 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:228 or .A:232 or .A:236 or .A:238 or .A:241 or .A:242 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:260 or .A:261 or .A:264 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:290 or .A:291 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:401 or .A:403 or .A:405 or .A:407 or .A:410 or .A:411 or .A:415 or .A:417 or .A:418 or .A:419 or .A:422 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:445 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:463 or .A:464 or .A:467 or .A:469 or .A:473 or .A:485 or .A:486 or .A:488 or .A:489 or .A:491 or .A:502 or .A:507 or .A:509 or .A:525 or .A:526 or .A:528 or .A:529 or .A:532 or .A:535 or .A:536 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
4.485
ARG10
4.214
LEU14
3.817
PHE19
4.821
LEU22
3.984
VAL23
4.096
ALA26
4.412
VAL46
3.729
PHE49
4.695
LEU66
3.831
LEU69
3.420
PHE70
3.671
ARG117
2.842
MET123
3.576
PHE134
4.718
LEU135
4.034
TYR138
3.527
LEU139
3.988
ILE142
3.874
HIS146
4.530
PHE149
4.954
TYR150
2.756
PRO152
4.271
LEU154
3.964
PHE157
3.498
ALA158
4.183
TYR161
3.493
PHE165
4.067
LEU182
3.880
LEU185
4.922
ARG186
3.738
GLY189
3.456
LYS190
4.146
ARG209
3.565
ALA210
4.011
LYS212
3.999
ALA213
3.580
VAL216
3.743
ARG218
4.202
LEU219
4.187
ARG222
4.084
PHE223
4.649
PHE228
4.794
SER232
4.552
THR236
4.451
LEU238
4.203
VAL241
4.569
HIS242
3.335
LEU250
4.913
LEU251
3.685
ALA254
3.426
ARG257
3.084
ALA258
4.209
LEU260
3.567
ALA261
4.988
ILE264
3.670
LEU283
3.593
LEU284
3.829
LYS286
4.614
SER287
2.757
HIS288
4.940
ILE290
3.630
ALA291
3.534
ASP324
3.480
VAL325
4.616
LEU327
3.528
GLY328
4.470
LEU331
4.361
SER342
3.015
VAL344
3.646
LEU345
4.329
LEU347
4.040
ARG348
2.469
ALA350
4.138
LYS351
3.985
GLU354
4.313
PRO384
3.933
LEU387
3.629
ILE388
3.552
ASN391
3.290
CYS392
4.049
TYR401
3.423
PHE403
4.298
ASN405
3.630
LEU407
4.066
ARG410
3.413
TYR411
2.861
VAL415
3.547
GLN417
4.856
VAL418
3.411
SER419
3.030
THR422
2.552
LEU423
4.541
VAL426
4.283
LEU430
3.547
VAL433
4.063
GLY434
4.046
CYS437
3.541
CYS438
4.309
ARG445
4.457
MET446
4.341
ALA449
3.703
GLU450
3.987
LEU453
4.002
LEU457
3.575
LEU460
3.388
LEU463
3.757
HIS464
3.452
THR467
3.095
VAL469
3.738
VAL473
4.092
ARG485
2.630
PRO486
4.308
PHE488
3.430
SER489
2.725
LEU491
4.159
PHE502
4.468
PHE507
3.592
PHE509
4.202
LYS525
2.649
GLN526
4.466
ALA528
3.563
LEU529
4.022
LEU532
3.970
HIS535
3.671
LYS536
4.434
VAL547
4.031
MET548
3.680
PHE551
3.376
ALA552
4.913
LEU575
4.248
VAL576
4.202
SER579
3.603
GLN580
3.565
LEU583
4.621
|
|||||
| Ligand Name: Stearic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH OCTADECANOIC ACID (STEARIC ACID) | PDB:1E7I | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [22] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STE or .STE2 or .STE3 or :3STE;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:27 or .A:46 or .A:49 or .A:66 or .A:69 or .A:70 or .A:73 or .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:150 or .A:152 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186 or .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:238 or .A:241 or .A:242 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:260 or .A:264 or .A:283 or .A:284 or .A:286 or .A:287 or .A:290 or .A:291 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:345 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:401 or .A:403 or .A:405 or .A:407 or .A:410 or .A:411 or .A:415 or .A:418 or .A:419 or .A:422 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:463 or .A:464 or .A:467 or .A:469 or .A:473 or .A:480 or .A:481 or .A:482 or .A:485 or .A:488 or .A:489 or .A:491 or .A:502 or .A:507 or .A:509 or .A:525 or .A:526 or .A:528 or .A:529 or .A:532 or .A:535 or .A:536 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
4.280
ARG10
4.282
LEU14
4.109
PHE19
4.537
LEU22
4.609
VAL23
4.241
PHE27
4.658
VAL46
3.664
PHE49
4.299
LEU66
4.361
LEU69
3.440
PHE70
3.875
LYS73
4.741
LEU115
3.951
VAL116
4.294
ARG117
3.485
PRO118
4.250
MET123
3.597
PHE134
4.597
LEU135
4.279
TYR138
3.286
LEU139
3.969
ILE142
3.446
TYR150
2.675
PRO152
4.295
PHE157
4.745
ALA158
3.431
TYR161
3.304
PHE165
3.719
LEU182
4.131
ARG186
4.637
PHE206
3.791
ARG209
4.057
ALA210
3.560
LYS212
4.191
ALA213
3.827
VAL216
4.053
ARG218
3.570
LEU219
3.670
ARG222
3.867
PHE228
4.026
SER232
3.289
LEU238
4.396
VAL241
4.479
HIS242
3.575
LEU250
4.634
LEU251
3.563
ALA254
3.606
ARG257
2.887
ALA258
4.116
LEU260
4.612
ILE264
4.318
LEU283
3.005
LEU284
3.838
LYS286
4.676
SER287
2.586
ILE290
4.045
ALA291
3.627
ASP324
3.452
VAL325
4.656
LEU327
3.966
GLY328
4.031
LEU331
4.040
SER342
2.960
VAL344
3.640
LEU345
4.218
LEU347
4.345
ARG348
2.697
ALA350
3.560
LYS351
3.936
GLU354
4.119
PRO384
3.829
LEU387
3.415
ILE388
3.880
ASN391
3.407
CYS392
4.174
TYR401
3.111
PHE403
4.376
ASN405
4.233
LEU407
4.561
ARG410
3.936
TYR411
3.452
VAL415
3.678
VAL418
3.739
SER419
4.373
THR422
3.857
LEU423
4.632
VAL426
4.633
LEU430
3.704
VAL433
4.130
GLY434
3.624
CYS437
4.291
CYS438
4.318
MET446
4.177
ALA449
3.926
GLU450
3.954
LEU453
3.596
LEU457
3.537
LEU460
3.811
LEU463
3.722
HIS464
3.573
THR467
3.667
VAL469
4.264
VAL473
4.428
SER480
2.980
LEU481
4.071
VAL482
3.121
ARG485
3.488
PHE488
3.866
SER489
2.812
LEU491
4.693
PHE502
4.062
PHE507
3.903
PHE509
4.410
LYS525
2.612
GLN526
4.988
ALA528
3.847
LEU529
4.105
LEU532
3.976
HIS535
3.256
LYS536
3.644
VAL547
4.089
MET548
3.683
PHE551
3.750
ALA552
4.942
LEU575
4.165
VAL576
4.020
SER579
3.607
GLN580
3.880
LEU583
4.172
|
|||||
| Ligand Name: N-acetylmethionine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with octanoate and N-acetyl-L-methionine | PDB:5X52 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [23] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AME or .AME2 or .AME3 or :3AME;style chemicals stick;color identity;select .A:195 or .A:218 or .A:222 or .A:291 or .A:292 or .A:293 or .A:436; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: PMID27414413-Compound-Figure6right | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with benzbromarone | PDB:7D6J | ||||
| Method | X-ray diffraction | Resolution | 3.29 Å | Mutation | No | [24] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTVADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAVESKDVC316 KNYAEAKDVF 326 LGMFLYEYAR336 RHPDYSVVLL346 LRLAKTYETT356 LEKCCAAADP366 HECYAKVFDE 376 FKPLVEEPQN386 LIKQNCELFE396 QLGEYKFQNA406 LLVRYTKKVP416 QVSTPTLVEV 426 SRNLGKVGSK436 CCKHPEAKRM446 PCAEDYLSVV456 LNQLCVLHEK466 TPVSDRVTKC 476 CTESLVNRRP486 CFSALEVDET496 YVPKEFNAET506 FTFHADICTL516 SEKERQIKKQ 526 TALVELVKHK536 PKATKEQLKA546 VMDDFAAFVE556 KCCKADDKET566 CFAEEGK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R75 or .R752 or .R753 or :3R75;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:145 or .A:146 or .A:149 or .A:150 or .A:153 or .A:157 or .A:161 or .A:165 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190 or .A:196 or .A:199 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:242 or .A:257 or .A:260 or .A:287 or .A:290 or .A:291 or .A:384 or .A:387 or .A:388 or .A:391 or .A:403 or .A:407 or .A:410 or .A:411 or .A:430 or .A:433 or .A:434 or .A:449 or .A:450 or .A:453 or .A:457 or .A:485 or .A:488 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.244
VAL116
4.189
ARG117
4.173
PRO118
3.942
MET123
3.534
PHE134
3.759
LYS137
4.365
TYR138
3.099
GLU141
3.698
ILE142
3.565
ARG145
3.671
HIS146
4.263
PHE149
4.042
TYR150
3.104
GLU153
4.598
PHE157
4.630
TYR161
3.120
PHE165
4.275
LEU182
3.194
ASP183
3.578
LEU185
3.710
ARG186
3.193
GLY189
3.408
LYS190
3.377
GLN196
4.863
LYS199
3.539
PHE211
4.274
TRP214
4.050
ALA215
4.340
ARG218
3.108
LEU219
3.619
ARG222
3.363
PHE223
4.849
LEU238
3.322
HIS242
3.527
ARG257
2.720
LEU260
4.601
SER287
4.067
ILE290
3.658
ALA291
3.790
PRO384
4.754
LEU387
3.899
ILE388
3.505
ASN391
3.261
PHE403
3.798
LEU407
4.617
ARG410
4.502
TYR411
2.539
LEU430
3.255
VAL433
3.715
GLY434
4.326
ALA449
3.621
GLU450
4.717
LEU453
3.447
LEU457
4.281
ARG485
3.235
PHE488
3.789
SER489
4.003
|
|||||
| Ligand Name: R-ketoprofen | Ligand Info | |||||
| Structure Description | Crystal structure of Human Serum Albumin in complex with ketoprofen | PDB:7JWN | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [25] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JGE or .JGE2 or .JGE3 or :3JGE;style chemicals stick;color identity;select .A:184 or .A:187 or .A:188 or .A:190 or .A:191 or .A:194 or .A:429 or .A:432 or .A:433 or .A:436 or .A:452 or .A:455 or .A:456 or .A:459; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Palmitoleic acid | Ligand Info | |||||
| Structure Description | Structure of Human serum albumin-Au compound complex | PDB:7EEK | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [26] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 ALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PAM or .PAM2 or .PAM3 or :3PAM;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:26 or .A:46 or .A:66 or .A:69 or .A:70 or .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:137 or .A:138 or .A:142 or .A:150 or .A:152 or .A:161 or .A:182 or .A:186 or .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:228 or .A:232 or .A:235 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:283 or .A:284 or .A:287 or .A:288 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:342 or .A:344 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:384 or .A:387 or .A:388 or .A:390 or .A:391 or .A:401 or .A:402 or .A:403 or .A:405 or .A:407 or .A:410 or .A:411 or .A:414 or .A:415 or .A:418 or .A:423 or .A:426 or .A:430 or .A:433 or .A:434 or .A:446 or .A:449 or .A:450 or .A:453 or .A:454 or .A:457 or .A:460 or .A:473 or .A:480 or .A:481 or .A:482 or .A:484 or .A:485 or .A:486 or .A:488 or .A:489 or .A:502 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:535 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
4.756
ARG10
4.770
LEU14
3.987
PHE19
4.563
LEU22
4.058
VAL23
3.639
ALA26
4.550
VAL46
3.890
LEU66
4.108
LEU69
3.399
PHE70
3.804
LEU115
4.802
VAL116
4.567
ARG117
3.043
PRO118
3.603
MET123
4.793
PHE134
3.400
LYS137
4.172
TYR138
3.885
ILE142
4.880
TYR150
2.450
PRO152
3.900
TYR161
4.345
LEU182
3.981
ARG186
3.380
PHE206
4.009
ARG209
3.630
ALA210
3.850
LYS212
4.402
ALA213
3.847
VAL216
3.925
PHE228
3.694
SER232
4.567
VAL235
4.997
LEU250
4.022
LEU251
3.767
ALA254
3.540
ARG257
3.061
ALA258
3.867
LEU283
3.834
LEU284
3.942
SER287
2.209
HIS288
4.891
ASP324
3.204
VAL325
3.970
LEU327
3.723
GLY328
3.793
LEU331
4.355
SER342
3.410
VAL344
3.365
LEU347
4.147
ARG348
3.553
ALA350
4.085
LYS351
3.131
GLU354
3.872
PRO384
3.442
LEU387
3.120
ILE388
3.628
GLN390
4.587
ASN391
3.796
TYR401
3.456
LYS402
4.439
PHE403
4.168
ASN405
4.197
LEU407
4.767
ARG410
3.286
TYR411
3.224
LYS414
4.431
VAL415
4.071
VAL418
3.829
LEU423
4.802
VAL426
4.066
LEU430
3.814
VAL433
4.447
GLY434
3.793
MET446
3.858
ALA449
4.072
GLU450
3.823
LEU453
3.836
SER454
3.943
LEU457
4.029
LEU460
3.439
VAL473
4.437
SER480
3.015
LEU481
3.104
VAL482
4.089
ARG484
4.389
ARG485
3.365
PRO486
4.168
PHE488
3.946
SER489
3.117
PHE502
3.972
PHE507
3.357
PHE509
4.706
LYS525
3.516
ALA528
4.321
LEU529
4.218
LEU532
4.063
HIS535
4.640
VAL547
3.509
MET548
3.674
PHE551
4.006
ALA552
4.810
LEU575
4.682
VAL576
4.124
SER579
3.731
GLN580
4.629
|
|||||
| Ligand Name: Aristolochic acid | Ligand Info | |||||
| Structure Description | Structure of Human Serum Albumin in complex with Aristolochic Acid I at 1.9 A resolution - Optimized | PDB:7OV6 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [27] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GOQ or .GOQ2 or .GOQ3 or :3GOQ;style chemicals stick;color identity;select .A:115 or .A:117 or .A:118 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Aristolochic acid II | Ligand Info | |||||
| Structure Description | Structure of Human Serum Albumin in complex with Aristolochic Acid II at 1.9 A resolution | PDB:7OV5 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [28] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GOR or .GOR2 or .GOR3 or :3GOR;style chemicals stick;color identity;select .A:115 or .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291 or .A:293; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
4.532
ILE142
3.425
HIS146
2.633
PHE149
3.713
LEU154
3.825
PHE157
3.955
TYR161
3.282
LEU185
4.930
ARG186
2.616
GLY189
3.421
LYS190
2.620
SER193
4.982
LYS199
2.832
TRP214
3.623
ARG218
4.464
|
|||||
| Ligand Name: 4-{8-Chloro-11-[3-(4-Chloro-3,5-Dimethylphenoxy)propyl]-1-Oxo-7-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)-4,5-Dihydro-1h-[1,4]diazepino[1,2-A]indol-2(3h)-Yl}-1-Methyl-1h-Indole-6-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin | PDB:5UJB | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [29] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTVATLRET83 YGEMADCCAK93 QEPERNECFL103 QHKDDNPNLP 113 RLVRPEVDVM123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA 163 AFTECCQAAD173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA 213 WAVARLSQRF223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY 263 ICENQDSISS273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK 313 DVCKNYAEAK323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA 363 ADPHECYAKV373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK 413 KVPQVSTPTL423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL 463 HEKTPVSDRV473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI 513 CTLSEKERQI523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD 563 KETCFAEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6AK or .6AK2 or .6AK3 or :36AK;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:146 or .A:149 or .A:157 or .A:161 or .A:179 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190 or .A:517 or .A:520; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.261
VAL116
2.918
ARG117
2.986
PRO118
3.253
MET123
3.709
PHE134
3.916
LYS137
4.101
TYR138
2.982
GLU141
3.965
ILE142
4.098
HIS146
3.611
PHE149
4.222
|
|||||
| Ligand Name: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | PDB:6YG9 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [19] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 APHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAET566 CFAEEGKKLV 576 AASQAALG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQ5 or .OQ52 or .OQ53 or :3OQ5;style chemicals stick;color identity;select .A:7 or .A:10 or .A:14 or .A:19 or .A:22 or .A:23 or .A:26 or .A:27 or .A:45 or .A:46 or .A:49 or .A:52 or .A:60 or .A:61 or .A:66 or .A:69 or .A:70 or .A:73 or .A:150 or .A:152 or .A:250 or .A:254 or .A:257 or .A:258 or .A:283 or .A:284 or .A:287; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL7
3.772
ARG10
3.444
LEU14
4.146
PHE19
4.523
LEU22
3.785
VAL23
3.509
ALA26
4.806
PHE27
4.832
GLU45
3.965
VAL46
3.571
PHE49
3.588
THR52
4.069
GLU60
4.248
ASN61
3.363
|
|||||
| Ligand Name: (2S)-6-acetamido-2-[[2-[2-[2-[[(4R)-4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid | Ligand Info | |||||
| Structure Description | Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan | PDB:6QIO | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [30] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQMSAPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAGTFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAAMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LGL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JG5 or .JG52 or .JG53 or :3JG5;style chemicals stick;color identity;select .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:228 or .A:229 or .A:232 or .A:233 or .A:235 or .A:236 or .A:324 or .A:325 or .A:327 or .A:328 or .A:329 or .A:331 or .A:347 or .A:348 or .A:350 or .A:351 or .A:354 or .A:479 or .A:480 or .A:481 or .A:482; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE206
3.274
ARG209
2.773
ALA210
2.544
LYS212
2.194
ALA213
2.417
VAL216
2.211
PHE228
2.239
ALA229
2.211
SER232
2.907
LYS233
4.659
VAL235
3.800
THR236
4.420
ASP324
2.520
VAL325
2.556
|
|||||
| Ligand Name: (2s)-2-[1-Amino-8-(Hydroxymethyl)-9-Oxo-9,11-Dihydroindolizino[1,2-B]quinolin-7-Yl]-2-Hydroxybutanoic Acid | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with 9 amino camptothecin | PDB:4L8U | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [13] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 ALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9AZ or .9AZ2 or .9AZ3 or :39AZ;style chemicals stick;color identity;select .A:114 or .A:115 or .A:116 or .A:117 or .A:138 or .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one | Ligand Info | |||||
| Structure Description | Human serum albumin complex with deschloro-aripiprazole | PDB:7X7X | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [31] |
| PDB Sequence |
DAHKSEVAHR
10 FKDLGEENFK20 ALVLIAFAQY30 LQQCPFEDHV40 KLVNEVTEFA50 KTCVADESAE 60 NCDKSLHTLF70 GDKLCTVADC90 CAKQEPERNE100 CFLQHKDDNP110 NLPRLVRPEV 120 DVMCTAFHDN130 EETFLKKYLY140 EIARRHPYFY150 APELLFFAKR160 YKAAFTECCQ 170 AADKAACLLP180 KLDELRDEGK190 ASSAKQRLKC200 ASLQKFGERA210 FKAWAVARLS 220 QRFPKAEFAE230 VSKLVTDLTK240 VHTECCHGDL250 LECADDRADL260 AKYICENQDS 270 ISSKLKECCE280 KPLLEKSHCI290 AEVENDEMPA300 DLPSLAADFV310 ESKDVCKNYA 320 EAKDVFLGMF330 LYEYARRHPD340 YSVVLLLRLA350 KTYETTLEKC360 CAAADPHECY 370 AKVFDEFKPL380 VEEPQNLIKQ390 NCELFEQLGE400 YKFQNALLVR410 YTKKVPQVST 420 PTLVEVSRNL430 GKVGSKCCKH440 PEAKRMPCAE450 DYLSVVLNQL460 CVLHEKTPVS 470 DRVTKCCTES480 LVNRRPCFSA490 LEVDETYVPK500 EFNAETFTFH510 ADICTLSEKE 520 RQIKKQTALV530 ELVKHKPKAT540 KEQLKAVMDD550 FAAFVEKCCK560 ADDK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJW or .AJW2 or .AJW3 or :3AJW;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:411 or .A:414 or .A:415 or .A:418 or .A:422 or .A:423 or .A:426 or .A:427 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:457 or .A:460 or .A:485 or .A:488 or .A:489 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU387
4.287
ILE388
4.396
ASN391
3.624
CYS392
4.338
PHE403
3.716
LEU407
4.418
TYR411
3.018
LYS414
4.936
VAL415
3.854
VAL418
4.280
THR422
3.963
LEU423
3.358
VAL426
3.464
|
|||||
| Ligand Name: (5z,12z,15s)-15-Hydroxy-11-Oxoprosta-5,9,12-Trien-1-Oic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure Analysis of Human serum albumin complexed with delta 12-prostaglandin J2 | PDB:3A73 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [32] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCCF 568 AEEGKKLVAA578 SQAALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PJ2 or .PJ22 or .PJ23 or :3PJ2;style chemicals stick;color identity;select .A:109 or .A:110 or .A:111 or .A:112 or .A:114 or .A:115 or .A:117 or .A:118 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:145 or .A:146 or .A:149 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN109
4.542
PRO110
4.988
ASN111
4.357
LEU112
4.876
ARG114
3.088
LEU115
3.635
ARG117
4.686
PRO118
4.629
MET123
3.585
PHE134
3.291
LEU135
3.319
TYR138
3.318
LEU139
3.565
ILE142
2.441
|
|||||
| Ligand Name: Pentadecanoic acid | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with palmitic acid and diclofenac | PDB:4Z69 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F15 or .F152 or .F153 or :3F15;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:186 or .A:342 or .A:344 or .A:345 or .A:348 or .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:401 or .A:403 or .A:405 or .A:407 or .A:411 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:446 or .A:449 or .A:450 or .A:453 or .A:485 or .A:486 or .A:502 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:535 or .A:547 or .A:548 or .A:551 or .A:552 or .A:575 or .A:576 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
4.641
VAL116
4.868
ARG117
2.827
MET123
4.951
PHE134
4.963
LEU135
4.016
TYR138
3.662
LEU139
4.189
ILE142
4.584
LEU154
4.844
PHE157
4.665
ALA158
3.841
TYR161
3.486
PHE165
3.836
LEU182
4.479
ARG186
3.761
SER342
2.731
VAL344
3.382
LEU345
3.952
ARG348
2.621
PRO384
4.097
LEU387
3.436
ILE388
4.037
ASN391
4.010
CYS392
4.763
TYR401
2.959
PHE403
4.112
ASN405
4.136
LEU407
4.997
TYR411
4.933
LEU430
4.018
VAL433
4.125
GLY434
3.821
CYS437
4.706
CYS438
4.526
MET446
3.878
ALA449
3.725
GLU450
4.241
LEU453
3.567
ARG485
2.523
PRO486
4.254
PHE502
3.914
PHE507
3.783
PHE509
4.602
LYS525
3.430
ALA528
3.883
LEU529
4.040
LEU532
3.732
HIS535
3.463
VAL547
3.959
MET548
3.626
PHE551
3.518
ALA552
3.031
LEU575
4.567
VAL576
3.751
SER579
3.593
GLN580
4.245
|
|||||
| Ligand Name: 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione | Ligand Info | |||||
| Structure Description | Crystal structure of Human Serum Albumin complex with JMS-053 | PDB:6WUW | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [33] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UAY or .UAY2 or .UAY3 or :3UAY;style chemicals stick;color identity;select .A:114 or .A:115 or .A:142 or .A:145 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Indoxyl sulfate | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with indoxyl sulfate | PDB:2BXH | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [7] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKA |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOS or .IOS2 or .IOS3 or :3IOS;style chemicals stick;color identity;select .A:195 or .A:199 or .A:214 or .A:218 or .A:222 or .A:291 or .A:292 or .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:410 or .A:411 or .A:430 or .A:431 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:485 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS195
4.279
LYS199
2.938
TRP214
2.814
ARG218
2.663
ARG222
2.418
ALA291
2.784
GLU292
4.032
LEU387
3.679
ILE388
3.740
ASN391
3.577
CYS392
4.519
PHE403
3.987
|
|||||
| Ligand Name: [(4S)-2-sulfanylidene-2-sulfido-1,3,2lambda5-dioxaphospholan-4-yl]methyl tetradecanoate | Ligand Info | |||||
| Structure Description | Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA) | PDB:5ID7 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [34] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6A4 or .6A42 or .6A43 or :36A4;style chemicals stick;color identity;select .A:198 or .A:199 or .A:202 or .A:206 or .A:211 or .A:214 or .A:215 or .A:218 or .A:238 or .A:242 or .A:291 or .A:342 or .A:344 or .A:345 or .A:348 or .A:384 or .A:387 or .A:388 or .A:391 or .A:401 or .A:402 or .A:405 or .A:411 or .A:415 or .A:418 or .A:423 or .A:426 or .A:430 or .A:446 or .A:449 or .A:450 or .A:453 or .A:454 or .A:457 or .A:460 or .A:481 or .A:484 or .A:485 or .A:486 or .A:488 or .A:489 or .A:502 or .A:507 or .A:509 or .A:525 or .A:528 or .A:529 or .A:532 or .A:535 or .A:536 or .A:547 or .A:548 or .A:551 or .A:552 or .A:555 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU198
3.917
LYS199
3.110
SER202
3.447
PHE206
3.590
PHE211
3.058
TRP214
3.277
ALA215
4.595
ARG218
4.137
LEU238
3.787
HIS242
3.523
ALA291
3.957
SER342
2.775
VAL344
3.588
LEU345
3.686
ARG348
2.531
PRO384
3.534
LEU387
3.174
ILE388
3.852
ASN391
3.450
TYR401
3.283
LYS402
4.897
ASN405
3.604
TYR411
3.473
VAL415
4.550
VAL418
4.909
LEU423
4.661
VAL426
4.135
LEU430
4.174
MET446
3.610
ALA449
3.806
GLU450
3.578
LEU453
3.808
SER454
2.761
LEU457
3.387
LEU460
3.396
LEU481
2.814
ARG484
3.643
ARG485
2.750
PRO486
4.138
PHE488
3.755
SER489
4.173
PHE502
3.656
PHE507
3.732
PHE509
3.837
LYS525
3.058
ALA528
3.518
LEU529
3.448
LEU532
3.754
HIS535
3.810
LYS536
4.644
VAL547
3.809
MET548
3.913
PHE551
2.647
ALA552
3.847
VAL555
4.127
LEU575
4.161
VAL576
4.137
SER579
3.696
GLN580
3.459
LEU583
4.411
|
|||||
| Ligand Name: Perfluorooctanesulfonic acid | Ligand Info | |||||
| Structure Description | Human Serum Albumin Complex with Perfluorooctane Sulfonate Potassium | PDB:4E99 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [35] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTCCAKQEPE97 RNECFLQHKD107 DNPNLPRLVR117 PEVDVMCTAF 127 HDNEETFLKK137 YLYEIARRHP147 YFYAPELLFF157 AKRYKAAFTE167 CCQAADKAAC 177 LLPKLDELRD187 EGKASSAKQR197 LKCASLQKFG207 ERAFKAWAVA217 RLSQRFPKAE 227 FAEVSKLVTD237 LTKVHTECCH247 GDLLECADDR257 ADLAKYICEN267 QDSISSKLKE 277 CCEKPLLEKS287 HCIAEVENDE297 MPADLPSLAA307 DFVESKDVCK317 NYAEAKDVFL 327 GMFLYEYARR337 HPDYSVVLLL347 RLAKTYETTL357 EKCCAAADPH367 ECYAKVFDEF 377 KPLVEEPQNL387 IKQNCELFEQ397 LGEYKFQNAL407 LVRYTKKVPQ417 VSTPTLVEVS 427 RNLGKVGSKC437 CKHPEAKRMP447 CAEDYLSVVL457 NQLCVLHEKT467 PVSDRVTKCC 477 TESLVNRRPC487 FSALEVDETY497 VPKEFNAETF507 TFHADICTLS517 EKERQIKKQT 527 ALVELVKHKP537 KATKEQLKAV547 MDDFAAFVEK557 CCKADDKETC567 FAEE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P8S or .P8S2 or .P8S3 or :3P8S;style chemicals stick;color identity;select .A:209 or .A:212 or .A:213 or .A:216 or .A:228 or .A:232 or .A:235 or .A:236 or .A:323 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:431 or .A:433 or .A:434 or .A:437 or .A:438 or .A:449 or .A:453 or .A:457 or .A:485 or .A:488 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG209
2.478
LYS212
2.932
ALA213
2.689
VAL216
3.906
PHE228
3.776
SER232
4.392
VAL235
4.363
THR236
4.872
LYS323
4.573
ASP324
2.405
VAL325
3.629
LEU327
3.033
GLY328
3.046
LEU331
3.236
LEU347
3.875
ALA350
3.144
LYS351
3.696
GLU354
3.302
LEU387
3.013
ILE388
3.300
|
|||||
| Ligand Name: 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with 3-carboxy-4-methyl-5-propyl-2- furanpropanoic acid (CMPF) | PDB:2BXA | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [7] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C1F or .C1F2 or .C1F3 or :3C1F;style chemicals stick;color identity;select .A:150 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:234 or .A:238 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291 or .A:387 or .A:388 or .A:390 or .A:391 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:433 or .A:453 or .A:488 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR150
2.568
LYS199
2.664
TRP214
3.019
ARG218
3.528
LEU219
3.883
ARG222
2.911
PHE223
3.867
LEU234
4.601
LEU238
3.526
HIS242
2.589
ARG257
3.061
LEU260
3.883
ILE264
3.454
SER287
4.860
ILE290
3.726
|
|||||
| Ligand Name: 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid | Ligand Info | |||||
| Structure Description | human Serum Albumin complexed with NBD-C12 fatty acid | PDB:6EZQ | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [36] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATYGE86 MADCCAKQEP96 ERNECFLQHK106 DDNPNLPRLV 116 RPEVDVMCTA126 FHDNEETFLK136 KYLYEIARRH146 PYFYAPELLF156 FAKRYKAAFT 166 ECCQAADKAA176 CLLPKLDELR186 DEGKASSAKQ196 RLKCASLQKF206 GERAFKAWAV 216 ARLSQRFPKA226 EFAEVSKLVT236 DLTKVHTECC246 HGDLLECADD256 RADLAKYICE 266 NQDSISSKLK276 ECCEKPLLEK286 SHCIAEVEND296 EMPADLPSLA306 ADFVESKDVC 316 KNYAEAKDVF326 LGMFLYEYAR336 RHPDYSVVLL346 LRLAKTYETT356 LEKCCAAADP 366 HECYAKVFDE376 FKPLVEEPQN386 LIKQNCELFE396 QLGEYKFQNA406 LLVRYTKKVP 416 QVSTPTLVEV426 SRNLGKVGSK436 CCKHPEAKRM446 PCAEDYLSVV456 LNQLCVLHEK 466 TPVSDRVTKC476 CTESLVNRRP486 CFSALEVDET496 YVPCTLSEKE520 RQIKKQTALV 530 ELVKHKPKAT540 KEQLKAVMDD550 FAAFVEKCCK560 ADDKETCFAE570 EGKKLVAASQ 580 AAL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C7K or .C7K2 or .C7K3 or :3C7K;style chemicals stick;color identity;select .A:150 or .A:195 or .A:196 or .A:198 or .A:199 or .A:202 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:238 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291 or .A:342 or .A:344 or .A:345 or .A:348 or .A:384 or .A:387 or .A:388 or .A:391 or .A:403 or .A:407 or .A:411 or .A:426 or .A:430 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:460 or .A:485 or .A:488 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR150
3.281
LYS195
4.354
GLN196
4.960
LEU198
3.485
LYS199
3.225
SER202
2.735
PHE211
3.416
TRP214
3.198
ALA215
4.093
ARG218
4.043
LEU219
3.949
ARG222
3.523
LEU238
3.575
HIS242
2.761
ARG257
3.374
LEU260
4.760
ILE264
4.535
SER287
3.892
ILE290
3.758
ALA291
3.830
SER342
2.625
|
|||||
| Ligand Name: (R)-Bicalutamide | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with bicalutamide | PDB:4LA0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [13] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .198 or .1982 or .1983 or :3198;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:122 or .A:123 or .A:126 or .A:133 or .A:134 or .A:137 or .A:138 or .A:141 or .A:165 or .A:182; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Chloro-8-hydroxyquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of human serum albumin and nitrosylruthenium complex adduct | PDB:7DL4 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [9] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HZQ or .HZQ2 or .HZQ3 or :3HZQ;style chemicals stick;color identity;select .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Camptothecin sodium | Ligand Info | |||||
| Structure Description | X-ray study of human serum albumin complexed with camptothecin | PDB:4L9K | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [13] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EHF or .EHF2 or .EHF3 or :3EHF;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:123 or .A:138 or .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Dansyl-L-Asparagine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-asparagine and myristic acid | PDB:2XVV | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [37] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKEEQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DN or .9DN2 or .9DN3 or :39DN;style chemicals stick;color identity;select .A:114 or .A:115 or .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:256 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291 or .A:292; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG114
4.026
LEU115
3.739
ILE142
3.865
HIS146
3.446
PHE149
4.012
LEU154
3.509
PHE157
3.277
TYR161
3.185
LEU185
3.812
ARG186
3.371
GLY189
3.261
LYS190
3.206
SER193
4.649
LYS199
2.618
TRP214
3.387
ARG218
3.799
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dansyl-L-phenylalanine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-phenylalanine | PDB:2XW0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [37] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NF or .9NF2 or .9NF3 or :39NF;style chemicals stick;color identity;select .A:195 or .A:198 or .A:199 or .A:202 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:242 or .A:260 or .A:264 or .A:290 or .A:291 or .A:387 or .A:388 or .A:391 or .A:392 or .A:394 or .A:403 or .A:406 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:431 or .A:433 or .A:434 or .A:437 or .A:438 or .A:449 or .A:453 or .A:485 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS195
4.470
LEU198
3.621
LYS199
2.456
SER202
3.687
PHE211
3.311
TRP214
3.119
ALA215
3.780
ARG218
2.680
LEU219
3.223
ARG222
2.881
PHE223
4.201
LEU238
3.093
HIS242
4.434
LEU260
4.603
ILE264
3.943
ILE290
3.850
ALA291
3.544
LEU387
3.627
ILE388
3.504
|
|||||
| Ligand Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||||
| Structure Description | HSA-glucose complex | PDB:4IW2 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [11] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:150 or .A:199 or .A:219 or .A:222 or .A:238 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid | Ligand Info | |||||
| Structure Description | Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the albumin-biniding side chain of the human growth hormone derivative somapacitan | PDB:6QIP | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [30] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTVATLRET83 YGEMADCCAK93 QEPERNECFL103 QHKDDNPNLP 113 RLVRPEVDVM123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA 163 AFTECCQAAD173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA 213 WAVARLSQRF223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY 263 ICENQDSISS273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK 313 DVCKNYAEAK323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA 363 ADPHECYAKV373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK 413 KVPQMSAPTL423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL 463 HEKTPVSDRV473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AGTFTFHADI 513 CTLSEKERQI523 KKQTALVELV533 KHKPKATKEQ543 LKAAMDDFAA553 FVEKCCKADD 563 KETCFAEEGK573 KLVAASQAAL583 GL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HDW or .HDW2 or .HDW3 or :3HDW;style chemicals stick;color identity;select .A:206 or .A:209 or .A:210 or .A:212 or .A:213 or .A:216 or .A:228 or .A:229 or .A:232 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:479 or .A:480 or .A:481 or .A:482; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE206
4.025
ARG209
3.321
ALA210
3.728
LYS212
3.483
ALA213
3.765
VAL216
3.655
PHE228
3.154
ALA229
3.535
SER232
3.416
ASP324
3.524
VAL325
3.492
|
|||||
| Ligand Name: (R)-Warfarin | Ligand Info | |||||
| Structure Description | Human Serum Albumin Complexed With Myristic Acid and the R-(+) enantiomer of warfarin | PDB:1H9Z | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [10] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RWF or .RWF2 or .RWF3 or :3RWF;style chemicals stick;color identity;select .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dansyl-l-norvaline | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-norvaline | PDB:2XW1 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [37] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NV or .9NV2 or .9NV3 or :39NV;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:394 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:449 or .A:453 or .A:485 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: beta-D-fructofuranose | Ligand Info | |||||
| Structure Description | HSA-fructose complex | PDB:4IW1 | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | No | [11] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTDCCAKQEP96 ERNECFLQHK106 DDNPNLPRLV116 RPEVDVMCTA 126 FHDNEETFLK136 KYLYEIARRH146 PYFYAPELLF156 FAKRYKAAFT166 ECCQAADKAA 176 CLLPKLDELR186 DEGKASSAKQ196 RLKCASLQKF206 GERAFKAWAV216 ARLSQRFPKA 226 EFAEVSKLVT236 DLTKVHTECC246 HGDLLECADD256 RADLAKYICE266 NQDSISSKLK 276 ECCEKPLLEK286 SHCIAEVEND296 EMPADLPSLA306 ADFVESKDVC316 KNYAEAKDVF 326 LGMFLYEYAR336 RHPDYSVVLL346 LRLAKTYETT356 LEKCCAAADP366 HECYAKVFDE 376 FKPLVEEPQN386 LIKQNCELFE396 QLGEYKFQNA406 LLVRYTKKVP416 QVSTPTLVEV 426 SRNLGKVGSK436 CCKHPEAKRM446 PCAEDYLSVV456 LNQLCVLHEK466 TPVSDRVTKC 476 CTESLVNRRP486 CFSALEVDET496 YVPKEFNAET506 FTFHADICTL516 SEKERQIKKQ 526 TALVELVKHK536 PKATKEQLKA546 VMDDFAAFVE556 KCCKADDKET566 CFAEEGKKLV 576
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FRU or .FRU2 or .FRU3 or :3FRU;style chemicals stick;color identity;select .A:150 or .A:199 or .A:219 or .A:222 or .A:223 or .A:238 or .A:242 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 11-(Dansylamino)undecanoic acid | Ligand Info | |||||
| Structure Description | Structure of human serum albumin in complex with DAUDA | PDB:3TDL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [38] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKET 566 CFAEEGKKLV576 AASQAALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .11D or .11D2 or .11D3 or :311D;style chemicals stick;color identity;select .A:199 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:228 or .A:232 or .A:238 or .A:241 or .A:242 or .A:245 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291 or .A:292 or .A:293 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:480 or .A:481 or .A:482; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS199
3.729
ARG209
3.059
ALA210
4.991
PHE211
3.718
LYS212
3.242
ALA213
3.382
TRP214
3.304
ALA215
3.924
VAL216
3.860
ARG218
3.188
LEU219
3.574
ARG222
2.551
PHE223
3.782
PHE228
4.510
SER232
4.625
LEU238
3.471
VAL241
2.993
HIS242
3.312
CYS245
4.971
ARG257
3.391
|
|||||
| Ligand Name: N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide | Ligand Info | |||||
| Structure Description | Human serum albumin in complex with compound 3 | PDB:3LU8 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [39] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQX or .IQX2 or .IQX3 or :3IQX;style chemicals stick;color identity;select .A:115 or .A:116 or .A:117 or .A:118 or .A:123 or .A:134 or .A:137 or .A:138 or .A:141 or .A:142 or .A:157 or .A:161 or .A:165 or .A:182 or .A:185 or .A:186 or .A:189; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Dansyl-L-arginine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-arginine and myristic acid | PDB:2XVW | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [37] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKEEQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NR or .9NR2 or .9NR3 or :39NR;style chemicals stick;color identity;select .A:114 or .A:142 or .A:146 or .A:149 or .A:153 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:192 or .A:193 or .A:196 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:288 or .A:290 or .A:291 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG114
4.013
ILE142
3.890
HIS146
3.230
PHE149
3.887
GLU153
3.499
LEU154
3.661
PHE157
3.516
TYR161
3.659
LEU185
3.821
ARG186
3.429
GLY189
3.186
LYS190
3.056
SER192
3.752
SER193
4.224
GLN196
3.764
LYS199
3.348
|
|||||
| Ligand Name: Dansyl-L-Glutamate | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-glutamate and myristic acid | PDB:2XSI | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [37] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKEEQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NE or .9NE2 or .9NE3 or :39NE;style chemicals stick;color identity;select .A:114 or .A:115 or .A:142 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG114
4.432
LEU115
4.279
ILE142
3.925
HIS146
3.330
PHE149
3.939
LEU154
3.530
PHE157
3.392
TYR161
3.429
LEU185
3.826
ARG186
4.075
GLY189
3.234
LYS190
3.580
SER193
4.287
LYS199
3.153
TRP214
3.061
|
|||||
| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with myristate and aspirin | PDB:2I2Z | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [14] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLCASL203 QKFGERAFKA 213 WAVARLSQRF223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY 263 ICENQDSISS273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK 313 DVCKNYAEAK323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA 363 ADPHECYAKV373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK 413 KVPQVSTPTL423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL 463 HEKTPVSDRV473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI 513 CTLSEKERQI523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD 563 KETCFAEEGK573 KLVAASQAAL583 G
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:200 or .A:201 or .A:202 or .A:203 or .A:211 or .A:214 or .A:218 or .A:238 or .A:242 or .A:246; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | Ligand Info | |||||
| Structure Description | Human serum albumin in complex with compound 1 | PDB:3LU6 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [39] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMX or .IMX2 or .IMX3 or :3IMX;style chemicals stick;color identity;select .A:150 or .A:198 or .A:199 or .A:202 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:218 or .A:219 or .A:222 or .A:223 or .A:228 or .A:231 or .A:232 or .A:235 or .A:238 or .A:242 or .A:264 or .A:290 or .A:291 or .A:323 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR150
3.967
LEU198
2.879
LYS199
3.192
SER202
3.576
ARG209
3.225
ALA210
4.198
PHE211
3.708
LYS212
3.758
ALA213
3.450
TRP214
3.308
ALA215
4.328
VAL216
3.178
ARG218
3.302
LEU219
3.264
ARG222
3.921
PHE223
3.450
PHE228
4.760
VAL231
4.863
|
|||||
| Ligand Name: Iophenoxic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN COMPLEXED WITH IOPHENOXIC ACID | PDB:2YDF | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [40] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IO3 or .IO32 or .IO33 or :3IO3;style chemicals stick;color identity;select .A:115 or .A:117 or .A:138 or .A:142 or .A:145 or .A:146 or .A:149 or .A:150 or .A:161 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291 or .A:384 or .A:387 or .A:388 or .A:391 or .A:392 or .A:394 or .A:398 or .A:402 or .A:403 or .A:405 or .A:406 or .A:407 or .A:409 or .A:410 or .A:411 or .A:413 or .A:414 or .A:430 or .A:433 or .A:434 or .A:438 or .A:449 or .A:453 or .A:485 or .A:488 or .A:489 or .A:529 or .A:541 or .A:544 or .A:545; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.955
ARG117
3.597
TYR138
4.043
ILE142
3.693
ARG145
4.833
HIS146
3.031
PHE149
4.918
TYR150
2.977
TYR161
4.116
LEU182
3.841
LEU185
3.703
ARG186
3.377
GLY189
4.094
LYS190
3.045
LYS199
2.648
TRP214
3.850
ARG218
3.399
LEU219
3.359
ARG222
2.826
PHE223
4.196
LEU238
3.649
HIS242
3.917
ARG257
2.844
LEU260
3.849
ALA261
4.415
ILE264
4.511
SER287
4.842
ILE290
3.870
ALA291
3.390
PRO384
4.938
LEU387
3.661
ILE388
3.227
ASN391
3.308
CYS392
3.781
LEU394
3.560
LEU398
4.611
LYS402
4.839
PHE403
3.393
ASN405
4.435
ALA406
3.812
LEU407
3.707
VAL409
3.614
ARG410
2.535
TYR411
3.218
LYS413
4.971
LYS414
4.765
LEU430
4.234
VAL433
2.977
GLY434
4.694
CYS438
3.811
ALA449
4.515
LEU453
3.444
ARG485
4.061
PHE488
4.690
SER489
2.623
LEU529
4.665
LYS541
3.612
LEU544
4.941
LYS545
4.789
|
|||||
| Ligand Name: (2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5PG or .5PG2 or .5PG3 or :35PG;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HCL or .HCL2 or .HCL3 or :3HCL;style chemicals stick;color identity;select .A:60; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMZ or .OMZ2 or .OMZ3 or :3OMZ;style chemicals stick;color identity;select .A:48 or .A:49 or .A:52 or .A:60 or .A:61; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-3,5-Dihydroxyphenylglycine | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D3P or .D3P2 or .D3P3 or :3D3P;style chemicals stick;color identity;select .A:52 or .A:56 or .A:59; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 10-Methylundecanoic acid | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M12 or .M122 or .M123 or :3M12;style chemicals stick;color identity;select .A:7 or .A:23 or .A:26 or .A:27 or .A:46 or .A:49 or .A:61 or .A:66 or .A:69 or .A:70 or .A:73 or .A:251; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Dimethylaminopropylamine | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DIB or .DIB2 or .DIB3 or :3DIB;style chemicals stick;color identity;select .A:48 or .A:52; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(1r,2r)-2-{[(5-Fluoro-1h-Indol-2-Yl)carbonyl]amino}-2,3-Dihydro-1h-Inden-1-Yl]butanoic Acid | Ligand Info | |||||
| Structure Description | Human serum albumin in complex with compound 2 | PDB:3LU7 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [39] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLRETY84 GEMADCCAKQ94 EPERNECFLQ104 HKDDNPNLPR 114 LVRPEVDVMC124 TAFHDNEETF134 LKKYLYEIAR144 RHPYFYAPEL154 LFFAKRYKAA 164 FTECCQAADK174 AACLLPKLDE184 LRDEGKASSA194 KQRLKCASLQ204 KFGERAFKAW 214 AVARLSQRFP224 KAEFAEVSKL234 VTDLTKVHTE244 CCHGDLLECA254 DDRADLAKYI 264 CENQDSISSK274 LKECCEKPLL284 EKSHCIAEVE294 NDEMPADLPS304 LAADFVESKD 314 VCKNYAEAKD324 VFLGMFLYEY334 ARRHPDYSVV344 LLLRLAKTYE354 TTLEKCCAAA 364 DPHECYAKVF374 DEFKPLVEEP384 QNLIKQNCEL394 FEQLGEYKFQ404 NALLVRYTKK 414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK444 RMPCAEDYLS454 VVLNQLCVLH 464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD494 ETYVPKEFNA504 ETFTFHADIC 514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL544 KAVMDDFAAF554 VEKCCKADDK 564 ETCFAEEGKK574 LVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IPX or .IPX2 or .IPX3 or :3IPX;style chemicals stick;color identity;select .A:150 or .A:198 or .A:199 or .A:202 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Oxfenicine | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D4P or .D4P2 or .D4P3 or :3D4P;style chemicals stick;color identity;select .A:60 or .A:61; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Dansylsarcosine | Ligand Info | |||||
| Structure Description | Human serum albumin complexed with dansyl-L-sarcosine | PDB:2XVQ | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [37] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVAADCCAK93 QEPERNECFL103 QHKDDNPNLP113 RLVRPEVDVM 123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA163 AFTECCQAAD 173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA213 WAVARLSQRF 223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY263 ICENQDSISS 273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK313 DVCKNYAEAK 323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA363 ADPHECYAKV 373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK413 KVPQVSTPTL 423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL463 HEKTPVSDRV 473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI513 CTLSEKERQI 523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD563 KETCFAEEGK 573 KLVAASQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DS or .9DS2 or .9DS3 or :39DS;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:403 or .A:407 or .A:411 or .A:414 or .A:430 or .A:431 or .A:433 or .A:434 or .A:437 or .A:438 or .A:449 or .A:453 or .A:485 or .A:488 or .A:489 or .A:490; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU387
3.703
ILE388
3.690
ASN391
3.424
CYS392
3.648
PHE403
4.221
LEU407
3.419
TYR411
2.578
LYS414
3.103
LEU430
3.106
GLY431
4.867
|
|||||
| Ligand Name: (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate) | PDB:7Z57 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [42] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGB or .IGB2 or .IGB3 or :3IGB;style chemicals stick;color identity;select .A:342 or .A:344 or .A:345 or .A:348 or .A:384 or .A:387 or .A:388 or .A:391 or .A:403 or .A:407 or .A:410 or .A:411 or .A:430 or .A:433 or .A:434 or .A:446 or .A:449 or .A:450 or .A:453 or .A:457 or .A:485 or .A:486 or .A:488 or .A:489; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER342
2.908
VAL344
3.064
LEU345
4.525
ARG348
2.616
PRO384
3.140
LEU387
3.343
ILE388
2.794
ASN391
3.534
PHE403
4.155
LEU407
3.669
ARG410
3.680
TYR411
2.543
|
|||||
| Ligand Name: Dexketoprofen | Ligand Info | |||||
| Structure Description | Crystal structure of Human Serum Albumin in complex with ketoprofen | PDB:7JWN | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [25] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9KL or .9KL2 or .9KL3 or :39KL;style chemicals stick;color identity;select .A:115 or .A:117 or .A:123 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:145 or .A:146 or .A:149 or .A:154 or .A:157 or .A:158 or .A:161 or .A:165 or .A:182 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:410 or .A:411 or .A:412 or .A:414 or .A:415 or .A:418 or .A:423 or .A:426 or .A:430 or .A:453 or .A:456 or .A:457 or .A:460 or .A:485 or .A:488 or .A:489 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU115
3.999
ARG117
2.766
MET123
3.869
PHE134
4.390
LEU135
3.854
TYR138
3.590
LEU139
3.572
ILE142
3.609
ARG145
3.602
HIS146
3.091
PHE149
3.603
LEU154
3.915
PHE157
4.163
ALA158
3.567
TYR161
3.247
PHE165
3.839
LEU182
4.246
LEU185
3.867
ARG186
3.509
GLY189
3.467
|
|||||
| Ligand Name: (2s)-3-{[(R)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-Hydroxypropyl Hexadecanoate | Ligand Info | |||||
| Structure Description | Crystal Structure of Human serum albumin complexed with Myristic acid and lysophosphatidylethanolamine | PDB:3CX9 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [43] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LPX or .LPX2 or .LPX3 or :3LPX;style chemicals stick;color identity;select .A:150 or .A:153 or .A:192 or .A:196 or .A:199 or .A:214 or .A:218 or .A:219 or .A:222 or .A:223 or .A:238 or .A:241 or .A:242 or .A:245 or .A:253 or .A:257 or .A:260 or .A:264 or .A:287 or .A:290 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR150
3.342
GLU153
2.653
SER192
3.776
GLN196
3.088
LYS199
3.300
TRP214
3.660
ARG218
4.055
LEU219
3.197
ARG222
2.693
PHE223
4.103
LEU238
3.151
|
|||||
| Ligand Name: Pentakis(Chloranyl)-(1~{h}-Indazol-2-Ium-2-Yl)ruthenium(1-) | Ligand Info | |||||
| Structure Description | HSA-Palmitic acid-[RuCl5(ind)]2- | PDB:5GIY | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [44] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7GE or .7GE2 or .7GE3 or :37GE;style chemicals stick;color identity;select .A:109 or .A:142 or .A:145 or .A:146 or .A:149 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:211 or .A:214 or .A:218 or .A:238 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN109
4.281
ILE142
4.073
ARG145
4.120
HIS146
1.792
PHE149
3.817
PHE157
3.975
TYR161
3.060
LEU185
4.289
ARG186
4.573
GLY189
2.848
LYS190
2.313
SER193
3.554
LYS199
3.134
|
|||||
| Ligand Name: 2,3,5-Triiodobenzoic acid | Ligand Info | |||||
| Structure Description | HUMAN SERUM ALBUMIN IN A COMPLEX WITH MYRISTIC ACID AND TRI-IODOBENZOIC ACID | PDB:1BKE | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [45] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTVATLRET83 YGEMADCCAK93 QEPERNECFL103 QHKDDNPNLP 113 RLVRPEVDVM123 CTAFHDNEET133 FLKKYLYEIA143 RRHPYFYAPE153 LLFFAKRYKA 163 AFTECCQAAD173 KAACLLPKLD183 ELRDEGKASS193 AKQRLKCASL203 QKFGERAFKA 213 WAVARLSQRF223 PKAEFAEVSK233 LVTDLTKVHT243 ECCHGDLLEC253 ADDRADLAKY 263 ICENQDSISS273 KLKECCEKPL283 LEKSHCIAEV293 ENDEMPADLP303 SLAADFVESK 313 DVCKNYAEAK323 DVFLGMFLYE333 YARRHPDYSV343 VLLLRLAKTY353 ETTLEKCCAA 363 ADPHECYAKV373 FDEFKPLVEE383 PQNLIKQNCE393 LFEQLGEYKF403 QNALLVRYTK 413 KVPQVSTPTL423 VEVSRNLGKV433 GSKCCKHPEA443 KRMPCAEDYL453 SVVLNQLCVL 463 HEKTPVSDRV473 TKCCTESLVN483 RRPCFSALEV493 DETYVPKEFN503 AETFTFHADI 513 CTLSEKERQI523 KKQTALVELV533 KHKPKATKEQ543 LKAVMDDFAA553 FVEKCCKADD 563 KETCFAEEGK573 KLVAASQAAL583 G
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3I or .B3I2 or .B3I3 or :3B3I;style chemicals stick;color identity;select .A:142 or .A:146 or .A:149 or .A:154 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193 or .A:199 or .A:219 or .A:223 or .A:238 or .A:241 or .A:242 or .A:257 or .A:260 or .A:261 or .A:264 or .A:287 or .A:290 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE142
4.066
HIS146
3.066
PHE149
3.146
LEU154
4.176
TYR161
3.392
LEU185
4.815
ARG186
3.769
GLY189
3.480
LYS190
3.190
SER193
3.870
LYS199
4.254
LEU219
3.293
|
|||||
| Ligand Name: 4-({2-[(2,4-Dimethylphenyl)sulfanyl]ethyl}amino)-N-[(4'-fluoro-1,1'-biphenyl-4-YL)carbonyl]-3-nitrobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | PDB:1YSX | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [46] |
| PDB Sequence |
QNLIKQNCEL
394 FEQLGEYKFQ404 NALLVRYTKK414 VPQVSTPTLV424 EVSRNLGKVG434 SKCCKHPEAK 444 RMPCAEDYLS454 VVLNQLCVLH464 EKTPVSDRVT474 KCCTESLVNR484 RPCFSALEVD 494 ETYVPKEFNA504 ETFTFHADIC514 TLSEKERQIK524 KQTALVELVK534 HKPKATKEQL 544 KAVMDDFAAF554 VEKCCKADDK564 ETCFAEEGKK574 LVAASQAALG584 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4EB or .4EB2 or .4EB3 or :34EB;style chemicals stick;color identity;select .A:387 or .A:388 or .A:391 or .A:392 or .A:395 or .A:403 or .A:407 or .A:410 or .A:411 or .A:414 or .A:415 or .A:418 or .A:422 or .A:423 or .A:424 or .A:425 or .A:426 or .A:427 or .A:430 or .A:433 or .A:434 or .A:437 or .A:449 or .A:452 or .A:453 or .A:457 or .A:460 or .A:463 or .A:464 or .A:467 or .A:469 or .A:470 or .A:473 or .A:488 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU387
4.851
ILE388
2.754
ASN391
2.518
CYS392
3.078
PHE395
3.511
PHE403
2.250
LEU407
2.153
ARG410
4.702
TYR411
2.505
LYS414
2.289
VAL415
1.904
VAL418
3.199
THR422
2.049
LEU423
1.930
VAL424
4.653
GLU425
3.154
VAL426
1.748
SER427
4.098
|
|||||
| Ligand Name: (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human serum albumin with cyclic peptide dalbavancin | PDB:6M5E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [41] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F8F or .F8F2 or .F8F3 or :3F8F;style chemicals stick;color identity;select .A:45 or .A:61 or .A:72 or .A:73 or .A:76; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: lauric acid functionalized hexamolybdoaluminate | Ligand Info | |||||
| Structure Description | lauric acid functionalized hexamolybdoaluminate bound to human serum albumin | PDB:6XV0 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [47] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M6O or .M6O2 or .M6O3 or :3M6O;style chemicals stick;color identity;select .A:109 or .A:146 or .A:184 or .A:187 or .A:188 or .A:190 or .A:191 or .A:193 or .A:194 or .A:197 or .A:321 or .A:322 or .A:323 or .A:324 or .A:325 or .A:429 or .A:432 or .A:436 or .A:452 or .A:455 or .A:458 or .A:459 or .A:462 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN109
3.895
HIS146
4.038
GLU184
4.689
ASP187
3.392
GLU188
4.073
LYS190
3.510
ALA191
3.614
SER193
4.211
ALA194
4.071
ARG197
2.553
GLU321
3.132
ALA322
3.244
|
|||||
| Ligand Name: 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine | Ligand Info | |||||
| Structure Description | Structure of Human serum albumin-Au compound complex | PDB:7EEK | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [26] |
| PDB Sequence |
AHKSEVAHRF
11 KDLGEENFKA21 LVLIAFAQYL31 QQCPFEDHVK41 LVNEVTEFAK51 TCVADESAEN 61 CDKSLHTLFG71 DKLCTVATLR81 ETYGEMADCC91 AKQEPERNEC101 FLQHKDDNPN 111 LPRLVRPEVD121 VMCTAFHDNE131 ETFLKKYLYE141 IARRHPYFYA151 PELLFFAKRY 161 KAAFTECCQA171 ADKAACLLPK181 LDELRDEGKA191 SSAKQRLKCA201 SLQKFGERAF 211 KAWAVARLSQ221 RFPKAEFAEV231 SKLVTDLTKV241 HTECCHGDLL251 ECADDRADLA 261 KYICENQDSI271 SSKLKECCEK281 PLLEKSHCIA291 EVENDEMPAD301 LPSLAADFVE 311 SKDVCKNYAE321 AKDVFLGMFL331 YEYARRHPDY341 SVVLLLRLAK351 TYETTLEKCC 361 AAADPHECYA371 KVFDEFKPLV381 EEPQNLIKQN391 CELFEQLGEY401 KFQNALLVRY 411 TKKVPQVSTP421 TLVEVSRNLG431 KVGSKCCKHP441 EAKRMPCAED451 YLSVVLNQLC 461 VLHEKTPVSD471 RVTKCCTESL481 VNRRPCFSAL491 EVDETYVPKE501 FNAETFTFHA 511 DICTLSEKER521 QIKKQTALVE531 LVKHKPKATK541 EQLKAVMDDF551 AAFVEKCCKA 561 DDKETCFAEE571 GKKLVAASQA581 ALG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2O or .J2O2 or .J2O3 or :3J2O;style chemicals stick;color identity;select .A:113 or .A:114 or .A:115 or .A:138 or .A:142 or .A:145 or .A:146 or .A:149 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine | Ligand Info | |||||
| Structure Description | Human serum albumin-Palmitic acid-Cu compound | PDB:6L4K | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [48] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
|
|||||
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine | Ligand Info | |||||
| Structure Description | Structure and function of human serum albumin-metal agent complex | PDB:5YB1 | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [49] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZR or .8ZR2 or .8ZR3 or :38ZR;style chemicals stick;color identity;select .A:113 or .A:114 or .A:115 or .A:116 or .A:141 or .A:142 or .A:145 or .A:146 or .A:149 or .A:154 or .A:157 or .A:161 or .A:185 or .A:186 or .A:189 or .A:190 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene | Ligand Info | |||||
| Structure Description | Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2 | PDB:5GIX | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [50] |
| PDB Sequence |
HKSEVAHRFK
12 DLGEENFKAL22 VLIAFAQYLQ32 QCPFEDHVKL42 VNEVTEFAKT52 CVADESAENC 62 DKSLHTLFGD72 KLCTVATLRE82 TYGEMADCCA92 KQEPERNECF102 LQHKDDNPNL 112 PRLVRPEVDV122 MCTAFHDNEE132 TFLKKYLYEI142 ARRHPYFYAP152 ELLFFAKRYK 162 AAFTECCQAA172 DKAACLLPKL182 DELRDEGKAS192 SAKQRLKCAS202 LQKFGERAFK 212 AWAVARLSQR222 FPKAEFAEVS232 KLVTDLTKVH242 TECCHGDLLE252 CADDRADLAK 262 YICENQDSIS272 SKLKECCEKP282 LLEKSHCIAE292 VENDEMPADL302 PSLAADFVES 312 KDVCKNYAEA322 KDVFLGMFLY332 EYARRHPDYS342 VVLLLRLAKT352 YETTLEKCCA 362 AADPHECYAK372 VFDEFKPLVE382 EPQNLIKQNC392 ELFEQLGEYK402 FQNALLVRYT 412 KKVPQVSTPT422 LVEVSRNLGK432 VGSKCCKHPE442 AKRMPCAEDY452 LSVVLNQLCV 462 LHEKTPVSDR472 VTKCCTESLV482 NRRPCFSALE492 VDETYVPKEF502 NAETFTFHAD 512 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 L
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
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| REF 3 | Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil. Int J Mol Sci. 2022 Feb 4;23(3):1769. | ||||
| REF 4 | Binding of the general anesthetics propofol and halothane to human serum albumin. High resolution crystal structures. J Biol Chem. 2000 Dec 8;275(49):38731-8. | ||||
| REF 5 | Resolving Binding Events on the Multifunctional Human Serum Albumin. ChemMedChem. 2020 May 6;15(9):738-743. | ||||
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| REF 10 | Crystal structure analysis of warfarin binding to human serum albumin: anatomy of drug site I. J Biol Chem. 2001 Jun 22;276(25):22804-9. | ||||
| REF 11 | Structural mechanism of ring-opening reaction of glucose by human serum albumin. J Biol Chem. 2013 May 31;288(22):15980-7. | ||||
| REF 12 | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography. J Struct Biol. 2008 Apr;162(1):40-9. | ||||
| REF 13 | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim Biophys Acta. 2013 Dec;1830(12):5356-74. | ||||
| REF 14 | Effect of human serum albumin on drug metabolism: structural evidence of esterase activity of human serum albumin. J Struct Biol. 2007 Feb;157(2):348-55. | ||||
| REF 15 | Crystallographic analysis of human serum albumin complexed with 4Z,15E-bilirubin-IXalpha. J Mol Biol. 2008 Aug 29;381(2):394-406. | ||||
| REF 16 | Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin. J Struct Biol. 2010 Sep;171(3):353-60. | ||||
| REF 17 | Structural basis for the binding of naproxen to human serum albumin in the presence of fatty acids and the GA module. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Feb 1;64(Pt 2):64-9. | ||||
| REF 18 | Crystal structure analysis of human serum albumin complexed with sodium 4-phenylbutyrate. Biochem Biophys Rep. 2018 Jan 28;13:78-82. | ||||
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| REF 20 | The crystal structure of plasma-derived human serum albumin | ||||
| REF 21 | Crystal structures of human serum albumin complexed with monounsaturated and polyunsaturated fatty acids. J Mol Biol. 2001 Dec 14;314(5):955-60. | ||||
| REF 22 | Crystallographic analysis reveals common modes of binding of medium and long-chain fatty acids to human serum albumin. J Mol Biol. 2000 Nov 10;303(5):721-32. | ||||
| REF 23 | Crystallographic analysis of the ternary complex of octanoate and N-acetyl-l-methionine with human serum albumin reveals the mode of their stabilizing interactions. Biochim Biophys Acta Proteins Proteom. 2017 Aug;1865(8):979-984. | ||||
| REF 24 | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions. Mol Pharm. 2021 Mar 1;18(3):1061-1070. | ||||
| REF 25 | Crystal structure of Human Serum Albumin in complex with ketoprofen | ||||
| REF 26 | Structure of Human serum albumin-Au compound complex | ||||
| REF 27 | Structural and mechanistic insights for the binding of aristolochic acids and their active metabolites to human serum albumin | ||||
| REF 28 | Structural and mechanistic insights for the binding of aristolochic acids and their active metabolites to | ||||
| REF 29 | Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin. Bioorg Med Chem. 2017 Jun 15;25(12):3087-3092. | ||||
| REF 30 | Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative. Biochemistry. 2020 Apr 14;59(14):1410-1419. | ||||
| REF 31 | Chlorine Atoms of an Aripiprazole Molecule Control the Geometry and Motion of Aripiprazole and Deschloro-aripiprazole in Subdomain IIIA of Human Serum Albumin. ACS Omega. 2022 Aug 18;7(34):29944-29951. | ||||
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| REF 33 | Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin. Mol Pharmacol. 2020 Dec;98(6):648-657. | ||||
| REF 34 | Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties. Biosci Rep. 2016 Jun 3;36(3):e00338. | ||||
| REF 35 | Structural evidence of perfluorooctane sulfonate transport by human serum albumin. Chem Res Toxicol. 2012 May 21;25(5):990-2. | ||||
| REF 36 | Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin. Angew Chem Int Ed Engl. 2018 Jan 22;57(4):1044-1048. | ||||
| REF 37 | Structural basis of binding of fluorescent, site-specific dansylated amino acids to human serum albumin. J Struct Biol. 2011 Apr;174(1):84-91. | ||||
| REF 38 | A fluorescent fatty acid probe, DAUDA, selectively displaces two myristates bound in human serum albumin. Protein Sci. 2011 Dec;20(12):2095-101. | ||||
| REF 39 | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions. Bioorg Med Chem. 2010 Nov 1;18(21):7486-96. | ||||
| REF 40 | Crystallographic analysis reveals the structural basis of the high-affinity binding of iophenoxic acid to human serum albumin. BMC Struct Biol. 2011 Apr 18;11:18. | ||||
| REF 41 | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J Med Chem. 2020 Nov 25;63(22):14045-14053. | ||||
| REF 42 | Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds. Chem Res Toxicol. 2022 Nov 21;35(11):2049-2058. | ||||
| REF 43 | Structural basis of transport of lysophospholipids by human serum albumin. Biochem J. 2009 Sep 14;423(1):23-30. | ||||
| REF 44 | Structure of HSA-Palmitic acid-[RuCl5(ind)]2- | ||||
| REF 45 | Crystal structure of human serum albumin complexed with fatty acid reveals an asymmetric distribution of binding sites. Nat Struct Biol. 1998 Sep;5(9):827-35. | ||||
| REF 46 | An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature. 2005 Jun 2;435(7042):677-81. | ||||
| REF 47 | Binding of a Fatty Acid-Functionalized Anderson-Type Polyoxometalate to Human Serum Albumin. Inorg Chem. 2020 Apr 20;59(8):5243-5246. | ||||
| REF 48 | A novel brain-tumor-inhibiting copper(II) compound based on a human serum albumin-cell penetrating peptide conjugate | ||||
| REF 49 | Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin. Mol Pharm. 2018 Jun 4;15(6):2180-2193. | ||||
| REF 50 | Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain. J Med Chem. 2016 Aug 25;59(16):7497-511. | ||||
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