Structure of PDB 1u0a Chain D Binding Site BS05

Receptor Information
>1u0a Chain D (length=214) Species: 44252 (Paenibacillus macerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTGGSFFEPFNSYNSGTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLG
LTSSAYNKFDCAEYRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHG
TQWDQIDIQFLGKDTTKVQFNYYTNGVGGHEKVISLGFDASKGFHTYAFD
WQPGYIKWYVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGAN
PLYAEYDWVKYTSN
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 chain1u0a Chain D Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u0a Structural Basis for the Substrate Specificity of a Bacillus 1,3-1,4-beta-Glucanase
Resolution1.64 Å
Binding residue
(original residue number in PDB)		P909 G945 D1107
Binding residue
(residue number reindexed from 1)		P9 G45 D207
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q1005 D1007 Q1009
Catalytic site (residue number reindexed from 1) Q105 D107 Q109
Enzyme Commision number 3.2.1.73: licheninase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042972 licheninase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1u0a, PDBe:1u0a, PDBj:1u0a
PDBsum1u0a
PubMed16483609
UniProtP23904|GUB_PAEMA Beta-glucanase

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