Structure of PDB 3vi3 Chain B Binding Site BS03

Receptor Information
>3vi3 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]
RCLKANAKSCGECIQAGPNCGWCTRCDDLEALKKKGCPPDDIENPRGSKD
IKKNKNVTNRSKGTAEKLKPEDIHQIQPQQLVLRLRSGEPQTFTLKFKRA
EDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFV
EKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVGK
QRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDG
KLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVT
EEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGK
LSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKK
DSDSFKIRPLGFTEEVEVILQYICECE
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 chain3vi3 Chain B Residue 2003 [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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PDB3vi3 Crystal structure of alpha5beta1 integrin ectodomain: Atomic details of the fibronectin receptor
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S132 E229
Binding residue
(residue number reindexed from 1)		S114 E211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3vi3, PDBe:3vi3, PDBj:3vi3
PDBsum3vi3
PubMed22451694
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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