Structure of PDB 1ajo Chain B Binding Site BS01

Receptor Information
>1ajo Chain B (length=213) Species: 44252 (Paenibacillus macerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGGHEKVISLGFDASKGFHTYAFDWQPGYIKWYVDGVLKHTATANIPSTP
GKIMMNLWNGTGVDDWLGSYNGANPLYAEYDWVKYTSNQGGSFFEPFNSY
NSGTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSSAYNKFDCAE
YRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHGTQWDEIDIEFLGK
DTTKVQFNYYTNG
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 chain1ajo Chain B Residue 215 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ajo Crystal structures and properties of de novo circularly permuted 1,3-1,4-beta-glucanases.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		D81 P97 G133
Binding residue
(residue number reindexed from 1)		D81 P96 G132
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.73: licheninase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1ajo, PDBe:1ajo, PDBj:1ajo
PDBsum1ajo
PubMed9489923
UniProtP23904|GUB_PAEMA Beta-glucanase

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