Structure of PDB 6wvb Chain A Binding Site BS01

Receptor Information
>6wvb Chain A (length=408) Species: 6100,31033 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGK
LPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGT
YKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNLRVSTPRWERI
ARVLVCLLGILLSLYAFHVEREHARDPSYKALCDVSSSISCSKVFGSRWG
RGFGLLGSIFGNDSALNQPNSVYGIVFYAFQLLLGMTVSAMAALILMTTS
IMSVVGSLYLGYILYFVLKDLCVICVTTYALNFILFVLNYKRLVYLNEAW
KQKLQAKQDNSHNVYITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNT
PIGDGPVLLPDNHYLSTQSVLSKDPNEKRDHMVLLEFVTAAGITHELYKS
NSLEVLFQ
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 chain6wvb Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wvb Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Resolution2.872 Å
Binding residue
(original residue number in PDB)		S168 A171 V199 F200 W204 N225 L265 I279 C280 T283 Y284
Binding residue
(residue number reindexed from 1)		S163 A166 V194 F195 W199 N220 L260 I274 C275 T278 Y279
Annotation score1
Enzymatic activity
Enzyme Commision number ?
1.17.4.4: vitamin-K-epoxide reductase (warfarin-sensitive).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016728 oxidoreductase activity, acting on CH or CH2 groups, disulfide as acceptor
GO:0047057 vitamin-K-epoxide reductase (warfarin-sensitive) activity
GO:0048038 quinone binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0008218 bioluminescence
GO:0017187 peptidyl-glutamic acid carboxylation
GO:0042373 vitamin K metabolic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wvb, PDBe:6wvb, PDBj:6wvb
PDBsum6wvb
PubMed33154105
UniProtP42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP);
Q6TEK8

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