Structure of PDB 4wk0 Chain B Binding Site BS02

Receptor Information
>4wk0 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]
NRCLKANAKSCGECIQAGPNCGWCTNSTFLTSARCDDLEALKKKGCPPDD
IENPRGSKDIKKNKNVTNLKPEDITQIQPQQLVLRLRSGEPQTFTLKFKR
AEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSF
VEKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVG
KQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGD
GKLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAV
TEEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENG
KLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPK
KDSDSFKIRPLGFTEEVEVILQYICEC
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4wk0 Chain B 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)		S132 E229
Binding residue
(residue number reindexed from 1)		S115 E212
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wk0, PDBe:4wk0, PDBj:4wk0
PDBsum4wk0
PubMed25475857
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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