Structure of PDB 1ha2 Chain A Binding Site BS01

Receptor Information
>1ha2 Chain A (length=582) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKT
CVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECF
LQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAP
ELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCAS
LQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLE
CADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL
PSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKT
YETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYK
FQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDY
LSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEF
NAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFA
AFVEKCCKADDKETCFAEEGKKLVAASQAALG
Ligand information
Ligand IDSWF
InChIInChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1
InChIKeyPJVWKTKQMONHTI-HNNXBMFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O
CACTVS 3.341CC(=O)C[C@@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O
CACTVS 3.341CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O
OpenEye OEToolkits 1.5.0CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O
ACDLabs 10.04O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3
FormulaC19 H16 O4
NameS-WARFARIN
ChEMBLCHEMBL251074
DrugBankDB14055
ZINCZINC000100006264
PDB chain1ha2 Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ha2 Crystal Structure Analysis of Warfarin Binding to Human Serum Albumin: Anatomy of Drug Site I
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W214 A215 L219 L238 H242 L260 S287 A291
Binding residue
(residue number reindexed from 1)		W212 A213 L217 L236 H240 L258 S285 A289
Annotation score1
Binding affinityMOAD: Kd=2.9uM
PDBbind-CN: -logKd/Ki=5.54,Kd=2.9uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015643 toxic substance binding
GO:0016209 antioxidant activity
GO:0019825 oxygen binding
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051087 protein-folding chaperone binding
GO:0140272 exogenous protein binding
GO:1903981 enterobactin binding
Biological Process
GO:0009267 cellular response to starvation
GO:0051902 negative regulation of mitochondrial depolarization
GO:0072732 cellular response to calcium ion starvation
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005794 Golgi apparatus
GO:0031093 platelet alpha granule lumen
GO:0032991 protein-containing complex
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ha2, PDBe:1ha2, PDBj:1ha2
PDBsum1ha2
PubMed11285262
UniProtP02768|ALBU_HUMAN Albumin (Gene Name=ALB)

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