Structure of PDB 4wk2 Chain B Binding Site BS04

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 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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PDB4wk2 Metal ion and ligand binding of integrin alpha 5 beta 1.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E169 N224 D226 P228 E229
Binding residue
(residue number reindexed from 1)		E152 N207 D209 P211 E212
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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