Structure of PDB 1j83 Chain B Binding Site BS01

Receptor Information
>1j83 Chain B (length=180) Species: 1493 (Clostridium cellulovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPTAPKDFSSGFWDFNDGTTQGFGVNPDSPITAINVENANNALKISNLNS
KGSNDLSEGNFWANVRISADIWGQSINIYGDTKLTMDVIAPTPVNVSIAA
IPQSSTHGWGNPTRAIRVWTNNFVAQTDGTYKATLTISTNDSPNFNTIAT
DAADSVVTNMILFVGSNSDNISLDNIKFTK
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 chain1j83 Chain B Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j83 Recognition of cello-oligosaccharides by a family 17 carbohydrate-binding module: an X-ray crystallographic, thermodynamic and mutagenic study.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D2040 N2042 N2067 D2200
Binding residue
(residue number reindexed from 1)		D14 N16 N41 D174
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0008810 cellulase activity
Biological Process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1j83, PDBe:1j83, PDBj:1j83
PDBsum1j83
PubMed11733998
UniProtP94622

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