Structure of PDB 8agn Chain AAA Binding Site BS02

Receptor Information
>8agn Chain AAA (length=287) Species: 256318 (metagenome) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKHEYVKVNGIKMHYVTQGKGKLLLLLHGFPDFWYVWRFQIPALAKHFR
VVAPDLRGYNETDKPEGVENYRLDLLAKDILGLIKALGEEHAVVVGHDWG
GIISWTLTAFNPQAVEKLVILNAPHPKAYMTRTKNSLRQLQKSWYVFFFQ
VANIPEKILSRNEFAFLKNMLIQSFVRRDLLTEEDLRIYVDAWSKSGALT
SALNYYRANLNPDIIFSEKTVVFPKIKVPTLVIWGEKDVAISKDLIVNME
DFIEAPYSIKYFPECGHWVQLEEPELVRKHIEEFILK
Ligand information
Ligand ID7EX
InChIInChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+
InChIKeyZWAJLVLEBYIOTI-OLQVQODUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CC[C@H]2[C@@H](C1)O2
ACDLabs 12.01C12CCCCC1O2
OpenEye OEToolkits 2.0.6C1CCC2C(C1)O2
CACTVS 3.385C1CC[CH]2O[CH]2C1
CACTVS 3.385C1CC[C@@H]2O[C@@H]2C1
FormulaC6 H10 O
Name(1R,6S)-7-oxabicyclo[4.1.0]heptane
ChEMBL
DrugBank
ZINCZINC000005082817
PDB chain8agn Chain AAA Residue 302 [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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PDB8agn Complexes of epoxide hydrolase from metagenomic source ch65
Resolution1.957 Å
Binding residue
(original residue number in PDB)		Y148 M173 S177
Binding residue
(residue number reindexed from 1)		Y145 M170 S174
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:8agn, PDBe:8agn, PDBj:8agn
PDBsum8agn
PubMed
UniProtA0A1U9WZ52

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