Structure of PDB 7xrt Chain A Binding Site BS01

Receptor Information
>7xrt Chain A (length=268) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQGKVYETRTVKSKILGMERSYSIYLPAGYDEGDGSYPVLYLLHGLGDNH
TGWVQFGQVQYIADKAIAEGKSAPMIIVMPDADTVHKGYFNLLDGTYNYE
DFFFQELIPHIEKTYRVRAESRYRAISGLSMGGGGALFYALHYPEMFVAV
APLSAVGGAWTFDQMKNQSDLSKVSEEKKAEVLGQMDIQTILEKSPKEKL
DRIKWIRWYISCGDDDFLSVTNCLLHNTLLQHQVGHEFRMKDGSHSWTYW
RMELPEVMRFVSRIFTQY
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 chain7xrt Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xrt Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
Resolution2.007 Å
Binding residue
(original residue number in PDB)		D234 D235 D262
Binding residue
(residue number reindexed from 1)		D214 D215 D242
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7xrt, PDBe:7xrt, PDBj:7xrt
PDBsum7xrt
PubMed
UniProtQ8A0E4

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