Structure of PDB 6el4 Chain A Binding Site BS03

Receptor Information

>6el4 Chain A (length=326) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PGLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRN
GVATPAQIINAVQEGFNFDNQAAIFATYAAHLVDGNLITDLLSIGRKTRL
TGPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDY
SNRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPA
NLFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAH
PMQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLR
KALNTNLDFLFQGVAAGCTQVFPYGR

Ligand information

Ligand ID

VOH

InChI

InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3

InChIKey

OEGPRYNGFWGMMV-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(cc1OC)CO
CACTVS 3.385	COc1ccc(CO)cc1OC

Formula

C9 H12 O3

Name

Veratryl alcohol

PDB chain

6el4 Chain A Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6el4 Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Resolution	1.53 Å
Binding residue (original residue number in PDB)	F69 A77 F121 T192 G195 E196 F199
Binding residue (residue number reindexed from 1)	F68 A76 F120 T191 G194 E195 F198
Annotation score	1

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:6el4, PDBe:6el4, PDBj:6el4
PDBsum	6el4
PubMed	30376293
UniProt	B9W4V6\|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)

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