Structure of PDB 1cpn Chain A Binding Site BS01

Receptor Information
>1cpn Chain A (length=208) Species: 44252 (Paenibacillus macerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDCAEYRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHGTQWDEIDI
EFLGKDTTKVQFNYYTNGVGGHEKVISLGFDASKGFHTYAFDWQPGYIKW
YVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGANPLYAEYDW
VKYTSNGSVFWEPKSYFNPSTWEKADGYSNGGVFNCTWRANNVNFTNDGK
LKLGLTSS
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 chain1cpn Chain A Residue 209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cpn Native-like in vivo folding of a circularly permuted jellyroll protein shown by crystal structure analysis.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D149 P163 G199
Binding residue
(residue number reindexed from 1)		D149 P163 G199
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E47 D49 E51
Catalytic site (residue number reindexed from 1) E47 D49 E51
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:1cpn, PDBe:1cpn, PDBj:1cpn
PDBsum1cpn
PubMed7937966
UniProtP23904|GUB_PAEMA Beta-glucanase

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