Structure of PDB 1daq Chain A Binding Site BS02

Receptor Information
>1daq Chain A (length=71) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTKLYGDVNDDGKVNSTDAVALKRYVLRSGISINTDNADLNEDGRVNST
DLGILKRYILKEIDTLPYKNG
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 chain1daq Chain A Residue 73 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1daq Solution structure of a type I dockerin domain, a novel prokaryotic, extracellular calcium-binding domain.
ResolutionN/A
Binding residue
(original residue number in PDB)		D40 L41 N42 D44 R46 D51
Binding residue
(residue number reindexed from 1)		D40 L41 N42 D44 R46 D51
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.176: cellulose 1,4-beta-cellobiosidase (reducing end).
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:1daq, PDBe:1daq, PDBj:1daq
PDBsum1daq
PubMed11273698
UniProtP0C2S5|GUNS_ACETH Cellulose 1,4-beta-cellobiosidase (reducing end) CelS (Gene Name=celS)

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