Structure of PDB 2aei Chain L Binding Site BS07

Receptor Information
>2aei Chain L (length=142) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQC
ASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQ
YCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILE
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 chain2aei Chain L Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aei The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		D46 G47 Q49 D63 Q64 L65
Binding residue
(residue number reindexed from 1)		D46 G47 Q49 D63 Q64 L65
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.21: coagulation factor VIIa.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2aei, PDBe:2aei, PDBj:2aei
PDBsum2aei
PubMed16125385
UniProtP08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)

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