Structure of PDB 1h1a Chain B Binding Site BS01

Receptor Information
>1h1a Chain B (length=191) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLTSSATGTHNGYYYSFWTDGQGNIRFNLESGGQYSVTWSGNGNWVGGK
GWNPGTDNRVINYTADYRPNGNSYLAVYGWTRNPLIEYYVVESFGTYDPS
TGATRMGSVTTDGGTYNIYRTQRVNAPSIEGTKTFYQYWSVRTSKRTGGT
VTMANHFNAWRQAGLQLGSHDYQIVATEGYYSSGSATVNVG
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 chain1h1a Chain A Residue 1195 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h1a Three-Dimensional Structures of Thermophilic Beta-1,4-Xylanases from Chaetomium Thermophilum and Nonomuraea Flexuosa. Comparison of Twelve Xylanases in Relation to Their Thermal Stability.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		T10 H11 G13
Binding residue
(residue number reindexed from 1)		T10 H11 G13
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N45 Y78 E87 Y89 E178
Catalytic site (residue number reindexed from 1) N45 Y78 E87 Y89 E178
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
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:1h1a, PDBe:1h1a, PDBj:1h1a
PDBsum1h1a
PubMed12653995
UniProtQ8J1V6

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