Structure of PDB 2vn5 Chain B Binding Site BS01

Receptor Information
>2vn5 Chain B (length=56) Species: 1521 (Ruminiclostridium cellulolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVYGDYNNDGNVDALDFAGLKKYIMAAYVKNLDVNLDNEVNSTDLAILKK
YLLGMV
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 chain2vn5 Chain B Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vn5 The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D38 N40 D42 E44 D49
Binding residue
(residue number reindexed from 1)		D33 N35 D37 E39 D44
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2vn5, PDBe:2vn5, PDBj:2vn5
PDBsum2vn5
PubMed18445585
UniProtP17901|GUNA_RUMCH Endoglucanase A (Gene Name=celCCA)

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