Structure of PDB 8ags Chain AAA Binding Site BS01

Receptor Information
>8ags Chain AAA (length=298) Species: 256318 (metagenome) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEMLKHEYVKVNGIKMHYVTQGKGKLLLLLHGFPDFWYVWRFQIPALAKH
FRVVAPDLRGYNETDKPEGVENYRLDLLAKDILGLIKALGEEHAVVVGHD
WGGIISWTLTAFNPQAVEKLVILNAPHPKAYMTRTKNSLRQLQKSWYVFF
FQVANIPEKILSRNEFAFLKNMLIQSFVRRDLLTEEDLRIYVDAWSKSGA
LTSALNYYRANLNPDIIFSEKTVVFPKIKVPTLVIWGEKDVAISKDLIVN
MEDFIEAPYSIKYFPECGHWVQLEEPELVRKHIEEFILKSDIHHHHHH
Ligand information
Ligand ID2CH
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)Cl
CACTVS 3.341Oc1ccccc1Cl
FormulaC6 H5 Cl O
Name2-CHLOROPHENOL
ChEMBLCHEMBL108877
DrugBankDB03110
ZINCZINC000000402767
PDB chain8ags Chain AAA Residue 301 [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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PDB8ags Complexes of epoxide hydrolase from metagenomic source ch65
Resolution1.61 Å
Binding residue
(original residue number in PDB)		D101 Y148 Y209
Binding residue
(residue number reindexed from 1)		D100 Y147 Y208
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8ags, PDBe:8ags, PDBj:8ags
PDBsum8ags
PubMed
UniProtA0A1U9WZ52

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