Structure of PDB 3aci Chain A Binding Site BS06

Receptor Information
>3aci Chain A (length=193) Species: 1499 (Ruminiclostridium josui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAVVEAPVEHAPIGKATLPSTFEDSTRQGWAWDATSGVQSALTIKDANES
KAISWEVKYPEVKPVDGWASAPRIMLGNVNTTRGNNKYLTFDFYLKPTQA
SKGSLTISLAFAPPSLGFWAQATGDVNIPLSSLSKMKKTTDGLYHFQVKY
DLDKINDGKVLTANTVLRDITIVVADGNSDFAGTMYLDNIRFE
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 chain3aci Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aci Recognition of cellooligosaccharides by a family 28 carbohydrate-binding module.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T31 E33 S60 K61 D198
Binding residue
(residue number reindexed from 1)		T21 E23 S50 K51 D188
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0008810 cellulase activity
Biological Process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3aci, PDBe:3aci, PDBj:3aci
PDBsum3aci
PubMed20159017
UniProtQ59290

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