Structure of PDB 7pna Chain A Binding Site BS03

Receptor Information
>7pna Chain A (length=325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNG
VATPAQIINAVQEGFNFDNQAAIFLTYAAHLVDGNLITDLLSIGRKTRLT
GPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYS
NRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPAN
LFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHP
MQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRK
ALNTNLDFLFQGVAAGCTQVFPYGR
Ligand information
Ligand ID7UT
InChIInChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyOGLQEYICTWWJQB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7COCCCCCCCCCCCC(=O)O
FormulaC13 H26 O3
Name12-methoxylauric acid;
12-methoxydodecanoic acid
ChEMBLCHEMBL1606365
DrugBank
ZINCZINC000001641919
PDB chain7pna Chain A Residue 410 [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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PDB7pna Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A73 F76 F191 G195 P277 G314 A316
Binding residue
(residue number reindexed from 1)		A71 F74 F189 G193 P275 G312 A314
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7pna, PDBe:7pna, PDBj:7pna
PDBsum7pna
PubMed36583658
UniProtB9W4V6|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)

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