Structure of PDB 4wjk Chain B Binding Site BS03

Receptor Information
>4wjk Chain B (length=424) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRCLKANAKSCGECIQAGPNCGWCTNMPTSARCDDLEALKKCPPDDIENP
RGSKDIKKNKNVTNLKPEDITQIQPQQLVLRLRSGEPQTFTLKFKRAEDY
PIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFVEKT
VMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVGKQRI
SGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLG
GIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEF
QPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGKLSE
GVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKKDSD
SFKIRPLGFTEEVEVILQYICECE
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 chain4wjk Chain B Residue 503 [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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PDB4wjk Metal ion and ligand binding of integrin alpha 5 beta 1.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E169 N224 D226 P228 E229
Binding residue
(residue number reindexed from 1)		E148 N203 D205 P207 E208
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wjk, PDBe:4wjk, PDBj:4wjk
PDBsum4wjk
PubMed25475857
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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