Structure of PDB 1dav Chain A Binding Site BS01

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 72 [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)		D8 N10 D12 G13 K14 D19
Binding residue
(residue number reindexed from 1)		D8 N10 D12 G13 K14 D19
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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