Structure of PDB 2lro Chain A Binding Site BS02

Receptor Information
>2lro Chain A (length=172) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASAVGEKMLDDFEGVLNWGSYSGEGAKVSTKIVSGKTGNGMEVSYTGTT
DGYWGTVYSLPDGDWSKWLKISFDIKSVDGSANEIRFMIAEKSINGVGDG
EHWVYSITPDSSWKTIEIPFSSFRRRLDYQPPGQDMSGTLDLDNIDSIHF
MYANNKSGKFVVDNIKLIGALE
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 chain2lro Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2lro Solution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11).
ResolutionN/A
Binding residue
(original residue number in PDB)		D12 E14 T38 N40 D163
Binding residue
(residue number reindexed from 1)		D12 E14 T38 N40 D163
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:2lro, PDBe:2lro, PDBj:2lro
PDBsum2lro
PubMed23356867
UniProtP16218|GUNH_ACET2 Endoglucanase H (Gene Name=celH)

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