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 | Salicyclic acid | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)O)O | ||||
| InChI | 1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | ||||
| InChIKey | YGSDEFSMJLZEOE-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 338 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2I2Z Human serum albumin complexed with myristate and aspirin | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [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 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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| PDB ID: 3B9M Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and salicylic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.70 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 LG
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ILE142
3.896
HIS146
3.200
PHE149
4.122
LEU154
4.482
PHE157
3.900
TYR161
3.052
LEU185
3.942
ARG186
3.456
GLY189
3.406
LYS190
4.408
LEU219
3.737
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| PDB ID: 2I30 Human serum albumin complexed with myristate and salicylic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.90 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 ICTLSEKERQ522 IKKQTALVEL532 VKHKPKATKE542 QLKAVMDDFA552 AFVEKCCKAD 562 DKETCFAEEG572 KKLVAASQAA582 LG
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ILE142
4.229
HIS146
3.588
PHE149
3.316
LEU154
4.259
PHE157
4.295
TYR161
2.556
LEU185
4.525
ARG186
3.525
GLY189
3.181
LYS190
3.782
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | 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. | ||||
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