Structure of PDB 5oy2 Chain A Binding Site BS03

Receptor Information
>5oy2 Chain A (length=327) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPGLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPR
NGVATPAQIINAVQEGFNFDNQAAIFATYAAHLVDGNLITDLLSIGRKTR
LTGPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVD
YSNRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFP
ANLFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQA
HPMQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQL
RKALNTNLDFLFQGVAAGCTQVFPYGR
Ligand information
Ligand ID3DM
InChIInChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKeyKLIDCXVFHGNTTM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1O)OC
CACTVS 3.341COc1cccc(OC)c1O
ACDLabs 10.04O(c1cccc(OC)c1O)C
FormulaC8 H10 O3
Name2,6-dimethoxyphenol
ChEMBLCHEMBL109652
DrugBank
ZINCZINC000000154666
PDB chain5oy2 Chain A Residue 1009 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5oy2 Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		A77 F121 T192 E196 F199
Binding residue
(residue number reindexed from 1)		A77 F121 T192 E196 F199
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.2.1: unspecific peroxygenase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5oy2, PDBe:5oy2, PDBj:5oy2
PDBsum5oy2
PubMed30376293
UniProtB9W4V6|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)

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