Structure of PDB 4wk2 Chain B Binding Site BS03

Receptor Information
>4wk2 Chain B (length=427) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRCLKANAKSCGECIQAGPNCGWCTNSTFLSARCDDLEALKKKGCPPDDI
ENPRGSKDIKKNKNVTNKLKPEDITQIQPQQLVLRLRSGEPQTFTLKFKR
AEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSF
VEKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVG
KQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGD
GKLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAV
TEEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENG
KLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPK
KDSDSFKIRPLGFTEEVEVILQYICEC
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 chain4wk2 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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PDB4wk2 Metal ion and ligand binding of integrin alpha 5 beta 1.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S134 D137 D138
Binding residue
(residue number reindexed from 1)		S117 D120 D121
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wk2, PDBe:4wk2, PDBj:4wk2
PDBsum4wk2
PubMed25475857
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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