Structure of PDB 4o08 Chain B Binding Site BS01

Receptor Information
>4o08 Chain B (length=284) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYINVNGVNLHYISKGQGELMLFLHGFPDFSHIWRHQIDEFSNDFHTVAL
DLRGYNLSEKPSGLESYEIDVLVEDIRQVIEGLGYSSCTLVVHDWGAGIG
WTFAYRYPEYVQKLIAFNGPHPYTFMRELRTNKNQQKASEYMKWFQKQEV
QDYMERDNFSGLRKLVIDPGVKKGYLTADDVQAYMNSWENGSVLSMLSYY
RNLKIFTEEDLRRKSLFPLEEEVLNIPVQIIWGNQDPTFMPENLDGIEEY
VPNISVHRLAEASHAPQHEKPQEVNNVMWNFLNK
Ligand information
Ligand IDPO6
InChIInChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyAOPRXJXHLWYPQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)OCC(=O)N
CACTVS 3.370NC(=O)COc1ccccc1
ACDLabs 12.01O=C(N)COc1ccccc1
FormulaC8 H9 N O2
Name2-phenoxyacetamide
ChEMBLCHEMBL1717544
DrugBank
ZINCZINC000000123519
PDB chain4o08 Chain B 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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PDB4o08 Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F30 L168 V169 P240 H267
Binding residue
(residue number reindexed from 1)		F27 L165 V166 P237 H264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F30 D97 W98 N121 L132 Y144 Y203 D239 H267
Catalytic site (residue number reindexed from 1) F27 D94 W95 N118 L129 Y141 Y200 D236 H264
Enzyme Commision number 3.2.2.10: pyrimidine-5'-nucleotide nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0047405 pyrimidine-5'-nucleotide nucleosidase activity

View graph for
Molecular Function
External links
PDB RCSB:4o08, PDBe:4o08, PDBj:4o08
PDBsum4o08
PubMed25331869
UniProtG9BEX6

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