Structure of PDB 4wk0 Chain A Binding Site BS02

Receptor Information
>4wk0 Chain A (length=449) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDAEAPAVLSGPPGSFFGFSVEFYRPGTDGVSVLVGAPKANTSQPGVL
QGGAVYLCPWGAQCTPIEFDSKGSRLLESSLSSSEGEEPVEYKSLQWFGA
TVRAHGSSILACAPLYSWRTEKEPLSDPVGTCYLSTDNFTRILEYAPCRS
DFSWAAGQGYCQGGFSAEFTKTGRVVLGGPGSYFWQGQILSATQEQIAES
YYPEYLINLVQGQLQTRQASSIYDDSYLGYSVAVGEFSGDDTEDFVAGVP
KGNLTYGYVTILNGSDIRSLYNFSGEQMASYFGYAVAATDVNGDGLDDLL
VGAPLLMDRTPDGRPQEVGRVYVYLQHPAGIEPTPTLTLTGHDEFGRFGS
SLTPLGDLDQDGYNDVAIGAPFGGETQQGVVFVFPGGPGGLGSKPSQVLQ
PLWAASHTPDFFGSALRGGRDLDGNGYPDLIVGSFGVDKAVVYRGRPVV
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 chain4wk0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4wk0 Metal ion and ligand binding of integrin alpha 5 beta 1.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		E239 S241 D243 T245 D247
Binding residue
(residue number reindexed from 1)		E236 S238 D240 T242 D244
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:4wk0, PDBe:4wk0, PDBj:4wk0
PDBsum4wk0
PubMed25475857
UniProtP08648|ITA5_HUMAN Integrin alpha-5 (Gene Name=ITGA5)

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