Structure of PDB 3vi4 Chain C Binding Site BS05

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 2004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vi4 Crystal structure of alpha5beta1 integrin ectodomain: Atomic details of the fibronectin receptor
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D424 D426 N428 Y430 D432
Binding residue
(residue number reindexed from 1)		D424 D426 N428 Y430 D432
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0008305 integrin complex

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

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