Structure of PDB 8vs6 Chain B Binding Site BS03

Receptor Information
>8vs6 Chain B (length=349) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INTQVTPGEVSIQLRPGAEANFMLKVHPLKKYPVDLYYLVDVSASMHNNI
EKLNSVGNDLSRKMAFFSRDFRLGFGSYVDKTVSPYISIHPERIHNQCSD
YNLDCMPPHGYIHVLSLTENITEFEKAVHRQKISGNIDTPEGGFDAMLQA
AVCESHIGWRKEAKRLLLVMTDQTSHLALDSKLAGIVVPNDGNCHLKNNV
YVKSTTMEHPSLGQLSEKLIDNNINVIFAVQGKQFHWYKDLLPLLPGTIA
GEIESKAANLNNLVVEAYQKLISEVKVQVENQVQGIYFNITAICPDGSRK
PGMEGCRNVTSNDEVLFNVTVTMKKCDNYAIIKPIGFNETAKIHIHRNC
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 chain8vs6 Chain B Residue 704 [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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PDB8vs6 Dynamic allostery drives autocrine and paracrine TGF-beta signaling
Resolution2.73 Å
Binding residue
(original residue number in PDB)		S114 S116 E212
Binding residue
(residue number reindexed from 1)		S43 S45 E141
Annotation score4
External links
PDB RCSB:8vs6, PDBe:8vs6, PDBj:8vs6
PDBsum8vs6
PubMed
UniProtP26012|ITB8_HUMAN Integrin beta-8 (Gene Name=ITGB8)

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