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 | Cisplatin | Ligand Info | |||
| Canonical SMILES | N.N.Cl[Pt]Cl | ||||
| InChI | 1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2 | ||||
| InChIKey | LXZZYRPGZAFOLE-UHFFFAOYSA-L | ||||
| PubChem Compound ID | 5702198 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7WOJ Crystal structure of HSA-Myr complex soaked with cisplatin for one week | ||||||
| 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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| PDB ID: 7WOK Crystal structure of HSA soaked with cisplatin for one week | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
KSEVAHRFKD
13 LGEENFKALV23 LIAFAQYLQQ33 CPFEDHVKLV43 NEVTEFAKTC53 VADESAENCD 63 KSLHTLFGDK73 LCTCCAKQEP96 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 CFAEEGKKL |
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GLU100
2.638
LEU103
4.293
GLN104
4.683
HIS105
2.165
PHE156
4.747
ARG160
3.495
GLU188
3.167
LEU203
4.525
GLN204
3.962
PHE228
3.796
HIS247
1.954
HIS288
2.056
|
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| PDB ID: 4S1Y X-ray structure of human serum albumin complexed with cisplatin | ||||||
| Method | X-ray diffraction | Resolution | 3.16 Å | Mutation | No | [2] |
| 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 YVPKEICTLS517 EKERQIKKQT527 ALVELVKHKP 537 KATKEQLKAV547 MDDFAAFVEK557 CCKADDKETC567 FAE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystallographic analysis of interaction between cisplatin and human serum albumin: Effect of fatty acid. Int J Biol Macromol. 2022 Sep 1;216:172-178. | ||||
| REF 2 | Cisplatin binding to human serum albumin: a structural study. Chem Commun (Camb). 2015 Jun 11;51(46):9436-9. | ||||
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