Structure of PDB 5vol Chain C Binding Site BS01

Receptor Information
>5vol Chain C (length=268) Species: 471870 (Bacteroides intestinalis DSM 17393) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWNFQSKVVTDTLFSKVLNSKRAYTVFLPKSFEQNKEKKYPVLYLLHGMW
ETNPVWAERGHVKDVMDRLVASGEACEMIIVTPNAGGNIHLEWNGYFDMP
GWKYETFFYTEFLPYIEKKYRVIGDRQHRAIAGLSMGGGGATNYGQRHSD
MFCAVYAMSALMSIPEQGAVPADDPNSKIAILTRSVIENSCVKYVMEADE
DRKADLRSVAWFVDCGDDDFLLDRNIEFYQAMRNAGVPCQFRVRDGGHDW
EYWHSALYQCLPFVTRIF
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 chain5vol Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vol Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		D234 D235 D262
Binding residue
(residue number reindexed from 1)		D217 D218 D245
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:5vol, PDBe:5vol, PDBj:5vol
PDBsum5vol
PubMed28669823
UniProtB3CET1

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