Structure of PDB 3vi4 Chain C Binding Site BS02

Receptor Information
>3vi4 Chain C (length=589) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDAEAPAVLSGPPGSFFGFSVEFYRPGTDGVSVLVGAPKANTSQPGVL
QGGAVYLCPWGASPTQCTPIEFDSKGSRLLESSLSSSEGEEPVEYKSLQW
FGATVRAHGSSILACAPLYSWRTEKEPLSDPVGTCYLSTDNFTRILEYAP
CRSDFSWAAGQGYCQGGFSAEFTKTGRVVLGGPGSYFWQGQILSATQEQI
AESYYPEYLINLVQGQLQTRQASSIYDDSYLGYSVAVGEFSGDDTEDFVA
GVPKGNLTYGYVTILNGSDIRSLYNFSGEQMASYFGYAVAATDVNGDGLD
DLLVGAPLLMDRTPDGRPQEVGRVYVYLQHPAGIEPTPTLTLTGHDEFGR
FGSSLTPLGDLDQDGYNDVAIGAPFGGETQQGVVFVFPGGPGGLGSKPSQ
VLQPLWAASHTPDFFGSALRGGRDLDGNGYPDLIVGSFGVDKAVVYRGRP
IVSASASLTIFPAMFNPEERSCSLEGNPVACINLSFCLNASGKHVADSIG
FTVELQLDWQKQRALFLASRQATLTQTLLIQNGAREDCREMKIYLRNESD
KLSPIHIALNFSLDPQAPVDSHGLRPALHYQSKSRIEDK
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 chain3vi4 Chain C Residue 2001 [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]
PDB3vi4 Crystal structure of alpha5beta1 integrin ectodomain: Atomic details of the fibronectin receptor
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E239 S241 D243 T245 D247
Binding residue
(residue number reindexed from 1)		E239 S241 D243 T245 D247
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0008305 integrin complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3vi4, PDBe:3vi4, PDBj:3vi4
PDBsum3vi4
PubMed22451694
UniProtP08648|ITA5_HUMAN Integrin alpha-5 (Gene Name=ITGA5)

[Back to BioLiP]