Structure of PDB 6r2w Chain H Binding Site BS01

Receptor Information
>6r2w Chain H (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWR
NLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPV
VLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNV
PRVMTQDCEASYPGKITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWY
LTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6r2w Chain H Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r2w Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E73 D75 E78 E83
Binding residue
(residue number reindexed from 1)		E58 D60 E63 E68
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H56 D105 K199 G200 D201 S202
Catalytic site (residue number reindexed from 1) H41 D90 K184 G185 D186 S187
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:6r2w, PDBe:6r2w, PDBj:6r2w
PDBsum6r2w
PubMed31801825
UniProtP08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)

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