Structure of PDB 1dav Chain A Binding Site BS02

Receptor Information
>1dav 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 chain1dav 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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PDB1dav Solution structure of a type I dockerin domain, a novel prokaryotic, extracellular calcium-binding domain.
ResolutionN/A
Binding residue
(original residue number in PDB)		N42 D44 R46 D51
Binding residue
(residue number reindexed from 1)		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:1dav, PDBe:1dav, PDBj:1dav
PDBsum1dav
PubMed11273698
UniProtP0C2S5|GUNS_ACETH Cellulose 1,4-beta-cellobiosidase (reducing end) CelS (Gene Name=celS)

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