Structure of PDB 5paw Chain B Binding Site BS02

Receptor Information
>5paw Chain B (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 ID7XM
InChIInChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12)
InChIKeyFTEJISMJEPMEAC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ccc2c(ccnc2N)c1
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2N)cc1N
FormulaC9 H9 N3
Nameisoquinoline-1,6-diamine
ChEMBL
DrugBank
ZINC
PDB chain5paw Chain B Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5paw Crystal Structure of a Factor VIIa complex
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D398 S399 S404 S423 W424 G425 G427 C428
Binding residue
(residue number reindexed from 1)		D182 S183 S188 S207 W208 G209 G211 C212
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H253 D302 K401 G402 D403 S404 G405
Catalytic site (residue number reindexed from 1) H41 D90 K185 G186 D187 S188 G189
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5paw, PDBe:5paw, PDBj:5paw
PDBsum5paw
PubMed
UniProtP08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)

[Back to BioLiP]