Structure of PDB 1yht Chain A Binding Site BS02

Receptor Information
>1yht Chain A (length=344) Species: 714 (Aggregatibacter actinomycetemcomitans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKQTGLMLDIARHFYSPEVIKSFIDTISLSGGNFLHLHFSDHENYAIESH
LLNQRAENAVQGKDGIYINPYTGKPFLSYRQLDDIKAYAKAKGIELIPEL
DSPNHMTAIFKLVQKDRGVKYLQGLKSRQVDDEIDITNADSITFMQSLMS
EVIDIFGDTSQHFHIGGDEFGYSVESNHEFITYANKLSYFLEKKGLKTRM
WNDGLIKNTFEQINPNIEITYWSYDGDTQDKNEAAERRDMRVSLPELLAK
GFTVLNYNSYYLYIVPKASPTFSQDAAFAAKDVIKNWDLGVWDGRNTKNR
VQNTHEIAGAALSIWGEDAKALKDETIQKNTKSLLEAVIHKTNG
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1yht Chain A Residue 752 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1yht Structural Analysis of Dispersin B, a Biofilm-releasing Glycoside Hydrolase from the Periodontopathogen Actinobacillus actinomycetemcomitans.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E166 D169
Binding residue
(residue number reindexed from 1)		E151 D154
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1yht, PDBe:1yht, PDBj:1yht
PDBsum1yht
PubMed15878175
UniProtQ840G9

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