Structure of PDB 2aei Chain L Binding Site BS05

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 505 [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]
PDB2aei The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		A1 E6 E16 E20
Binding residue
(residue number reindexed from 1)		A1 E6 E16 E20
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

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

[Back to BioLiP]