Structure of PDB 8vs6 Chain B Binding Site BS02

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 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 chain8vs6 Chain B Residue 703 [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)		D151 N207 D209 T210 P211 E212
Binding residue
(residue number reindexed from 1)		D80 N136 D138 T139 P140 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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