Structure of PDB 3atg Chain A Binding Site BS01

Receptor Information
>3atg Chain A (length=242) Species: 1710 (Cellulosimicrobium cellulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGDLLWSDEFDGAAGSAPNPAVWNHETGAHGWGNAELQNYTASRANSAL
DGQGNLVITARREGDGSYTSARMTTQGKYQPQYGRIEARIQIPRGQGIWP
AFWMLGGSFPGTPWPSSGEIDIMENVGFEPHRVHGTVHGPGYSGGSGITG
MYQHPQGWSFADTFHTFAVDWKPGEITWFVDGQQFHRVTRASVGANAWVF
DQPFFLILNVAVGGQWPGYPDGTTQLPQQMKVDYVRVYDNGS
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 chain3atg Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3atg Structural and thermodynamic characterization of endo-1,3-beta-glucanase: Insights into the substrate recognition mechanism.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		E10 G54 D233
Binding residue
(residue number reindexed from 1)		E10 G54 D233
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E119 E124
Catalytic site (residue number reindexed from 1) E119 E124
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3atg, PDBe:3atg, PDBj:3atg
PDBsum3atg
PubMed29246508
UniProtG1ED17

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