Structure of PDB 4wjk Chain B Binding Site BS02

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 502 [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)		S134 D137 D138 A342
Binding residue
(residue number reindexed from 1)		S113 D116 D117 A321
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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