Structure of PDB 8x39 Chain B Binding Site BS03

Receptor Information
>8x39 Chain B (length=138) Species: 637887 (Acetivibrio thermocellus DSM 1313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVKIGDIDGNGEISSIDYAILKSHLINSNLTFKQLAAADVDGNGYVNSID
LAILQMYLLGKGGTSDIGKNRIYTYGDIDNNGIVDENDYILICNHINGTG
QLSDASLFAADADGNNVIDQTDRILIEKYITGRITHLP
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 chain8x39 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8x39 A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D78 D80 N82 I84 D89
Binding residue
(residue number reindexed from 1)		D77 D79 N81 I83 D88
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:8x39, PDBe:8x39, PDBj:8x39
PDBsum8x39
PubMed38501488
UniProtA3DK52

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