Structure of PDB 5pb2 Chain C Binding Site BS02

Receptor Information
>5pb2 Chain C (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWR
NLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPV
VLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNV
PRLMTQDCLQQSRSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTW
YLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
Ligand information
Ligand ID9RP
InChIInChI=1S/C16H12N4O/c21-16-13(10-18-20(16)12-4-2-1-3-5-12)15-8-11-9-17-7-6-14(11)19-15/h1-10,19,21H
InChIKeyGOEIALIONKXAFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O
CACTVS 3.385Oc1n(ncc1c2[nH]c3ccncc3c2)c4ccccc4
ACDLabs 12.01n3(c(c(c2cc1c(ccnc1)n2)cn3)O)c4ccccc4
FormulaC16 H12 N4 O
Name1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol
ChEMBL
DrugBank
ZINC
PDB chain5pb2 Chain C Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5pb2 Crystal Structure of a Factor VIIa complex
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H253 S399 C400 K401 S404 S423 W424
Binding residue
(residue number reindexed from 1)		H41 S183 C184 K185 S188 S207 W208
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.21: coagulation factor VIIa.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5pb2, PDBe:5pb2, PDBj:5pb2
PDBsum5pb2
PubMed
UniProtP08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)

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