Structure of PDB 5aih Chain A Binding Site BS02
Receptor Information
>5aih Chain A (length=125) Species:
32644
(unidentified) [
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MTPLETVQLFLARVNALDLDGACALLAEDVVYDNVPMPTVHGRAAARAFL
SQLPATAIDWETHAIAATGDAARGTVLTERTDRFTLADGRTLAIRVMGAF
DVADGSITAWRDYFDLGQFMAQMAP
Ligand information
Ligand ID
EDO
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKey
LYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OCCO
OpenEye OEToolkits 1.5.0
C(CO)O
Formula
C2 H6 O2
Name
1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBL
CHEMBL457299
DrugBank
ZINC
ZINC000005224354
PDB chain
5aih Chain A Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
5aih
Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
Resolution
1.42 Å
Binding residue
(original residue number in PDB)
A57 F84 T85
Binding residue
(residue number reindexed from 1)
A57 F84 T85
Annotation score
1
External links
PDB
RCSB:5aih
,
PDBe:5aih
,
PDBj:5aih
PDBsum
5aih
PubMed
26032250
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