Structure of PDB 7xrv Chain E Binding Site BS01

Receptor Information
>7xrv Chain E (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
DFFFQELIPHIEKTYRVRAESRYRAISGLAMGGGGALFYALHYPEMFVAV
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 chain7xrv Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7xrv Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
Resolution2.713 Å
Binding residue
(original residue number in PDB)		D234 D235
Binding residue
(residue number reindexed from 1)		D214 D215
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:7xrv, PDBe:7xrv, PDBj:7xrv
PDBsum7xrv
PubMed
UniProtQ8A0E4

[Back to BioLiP]