Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Dansyl-L-Asparagine | Ligand Info | |||
| Canonical SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)N)C(=O)O | ||||
| InChI | 1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1 | ||||
| InChIKey | LRBOEWHGZIFPKV-LBPRGKRZSA-N | ||||
| PubChem Compound ID | 11417217 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2XVV Human serum albumin complexed with dansyl-L-asparagine and myristic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| 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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|
|
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
|
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| PDB ID: 2XVU Human serum albumin complexed with dansyl-L-asparagine | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
SEVAHRFKDL
14 GEENFKALVL24 IAFAQYLQQC34 PFEDHVKLVN44 EVTEFAKTCV54 ADESAENCDK 64 SLHTLFGDKL74 CTVATLCCAK93 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 FVEKCCTCFA569 EEGKKLVAAS 579
|
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TYR150
3.173
GLU153
4.241
LYS195
4.654
GLN196
4.435
LYS199
2.911
TRP214
3.493
ARG218
4.153
LEU219
3.748
ARG222
2.551
PHE223
4.725
LEU238
3.588
HIS242
3.741
ARG257
3.154
LEU260
3.537
ALA261
3.860
ILE264
3.904
SER287
3.534
ILE290
3.556
ALA291
2.966
GLU292
3.263
LEU387
3.627
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of binding of fluorescent, site-specific dansylated amino acids to human serum albumin. J Struct Biol. 2011 Apr;174(1):84-91. | ||||
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