Structure of PDB 6wv6 Chain A Binding Site BS01

Receptor Information
>6wv6 Chain A (length=381) Species: 6100,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTG
KLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDG
TYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNSTWGSPGWVR
LALCLTGLVLSLYALHVKAARARDRDYRALCDVGTAISCSRVFSSRWGRG
FGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTRWASVLMLLSSLV
SLAGSVYLAWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQENSHNVYI
TADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLS
TQSVLSKDPNEKRDHMVLLEFVTAAGITHHH
Ligand information
Ligand IDUAS
InChIInChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyNFBAXHOPROOJAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2C(=O)c3ccccc3C2=O
CACTVS 3.385O=C1C(c2ccccc2)C(=O)c3ccccc13
ACDLabs 12.01c1c2C(C(C(=O)c2ccc1)c3ccccc3)=O
FormulaC15 H10 O2
NamePhenindione;
2-phenyl-1H-indene-1,3(2H)-dione
ChEMBLCHEMBL711
DrugBankDB00498
ZINCZINC000100004862
PDB chain6wv6 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wv6 Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A168 V196 F197 N222 S223 L262 C277 Y281
Binding residue
(residue number reindexed from 1)		A164 V192 F193 N218 S219 L258 C273 Y277
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.4.4: vitamin-K-epoxide reductase (warfarin-sensitive).
Gene Ontology
Molecular Function
GO:0005515 protein binding
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:0047058 vitamin-K-epoxide reductase (warfarin-insensitive) activity
GO:0048038 quinone binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006805 xenobiotic metabolic process
GO:0007596 blood coagulation
GO:0008218 bioluminescence
GO:0014070 response to organic cyclic compound
GO:0017187 peptidyl-glutamic acid carboxylation
GO:0030193 regulation of blood coagulation
GO:0042373 vitamin K metabolic process
GO:0050820 positive regulation of coagulation
GO:0060348 bone development
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6wv6, PDBe:6wv6, PDBj:6wv6
PDBsum6wv6
PubMed33154105
UniProtP42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP);
Q9BQB6

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