Structure of PDB 1hjs Chain A Binding Site BS01

Receptor Information
>1hjs Chain A (length=332) Species: 78579 (Thermothelomyces thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTYRGVDWSSVVVEERAGVSYKNTNGNAQPLENILAANGVNTVRQRVWV
NPADGNYNLDYNIAIAKRAKAAGLGVYIDFHYSDTWADPAHQTMPAGWPS
DIDNLSWKLYNYTLDAANKLQNAGIQPTIVSIGNEIRAGLLWPTGRTENW
ANIARLLHSAAWGIKDSSLSPKPKIMIHLDNGWDWGTQNWWYTNVLKQGT
LELSDFDMMGVSFYPFYSSSATLSALKSSLDNMAKTWNKEIAVVETNWPI
SCPNPRYSFPSDVKNIPFSPEGQTTFITNVANIVSSVSRGVGLFYWEPAW
IHNANLGSSCADNTMFSQSGQALSSLSVFQRI
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain1hjs Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hjs Structure of Two Fungal Beta-1,4-Galactanases: Searching for the Basis for Temperature and Ph Optimum
Resolution1.87 Å
Binding residue
(original residue number in PDB)		W142 P143 R146
Binding residue
(residue number reindexed from 1)		W142 P143 R146
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R45 E135 E245
Catalytic site (residue number reindexed from 1) R45 E135 E245
Enzyme Commision number 3.2.1.89: arabinogalactan endo-beta-1,4-galactanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0015926 glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030247 polysaccharide binding
GO:0031218 arabinogalactan endo-1,4-beta-galactosidase activity
Biological Process
GO:0016998 cell wall macromolecule catabolic process
GO:0045490 pectin catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1hjs, PDBe:1hjs, PDBj:1hjs
PDBsum1hjs
PubMed12761390
UniProtP83692|GANA_THETO Arabinogalactan endo-beta-1,4-galactanase

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