Structure of PDB 5nrk Chain D Binding Site BS02

Receptor Information
>5nrk Chain D (length=67) Species: 35830 (Acetivibrio cellulolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPGDVDGNGSININDFALMRNYLLGNLKDFPAEDDIKAGDLNGDKSINSL
DFAIMRMYLLGMITKFS
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 chain5nrk Chain D Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nrk Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D42 N44 D46 S48 D53
Binding residue
(residue number reindexed from 1)		D40 N42 D44 S46 D51
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5nrk, PDBe:5nrk, PDBj:5nrk
PDBsum5nrk
PubMed29367338
UniProtA0A2R2JFJ6

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