Structure of PDB 1ajk Chain A Binding Site BS01

Receptor Information
>1ajk Chain A (length=212) Species: 44252 (Paenibacillus macerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTGIVSSFFTYTGPAHGTQWDEIDIEFLGKDTTKVQFNYYTNGVGGHEKV
ISLGFDASKGFHTYAFDWQPGYIKWYVDGVLKHTATANIPSTPGKIMMNL
WNGTDDWLGSYNGANPLYAEYDWVKYTSNQTGGSFFEPFNSYNSGTWEKA
DGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSSAYNKFDCAEYRSTNIYG
YGLYEVSMKPAK
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 chain1ajk Chain A Residue 215 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ajk Crystal structures and properties of de novo circularly permuted 1,3-1,4-beta-glucanases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D124 P140 G176
Binding residue
(residue number reindexed from 1)		D122 P138 G174
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E22 E26
Catalytic site (residue number reindexed from 1) E22 E26
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:1ajk, PDBe:1ajk, PDBj:1ajk
PDBsum1ajk
PubMed9489923
UniProtP23904|GUB_PAEMA Beta-glucanase

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