Structure of PDB 6el0 Chain A Binding Site BS03

Receptor Information

>6el0 Chain A (length=324) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNGV
ATPAQIINAVQEGFNFDNQAAIFATYAAHLVDGNLITDLLSIGRKTRLTG
PDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYSN
RFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPANL
FVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHPM
QPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRKA
LNTNLDFLFQGVAAGCTQVFPYGR

Ligand information

Ligand ID

SYN

InChI

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

PPBRXRYQALVLMV-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.6	C=Cc1ccccc1
ACDLabs 12.01	C=C\c1ccccc1

Formula

C8 H8

Name

ethenylbenzene;
styrene

PDB chain

6el0 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	6el0 Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	A77 F121 T192 E196 F199
Binding residue (residue number reindexed from 1)	A74 F118 T189 E193 F196
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:6el0, PDBe:6el0, PDBj:6el0
PDBsum	6el0
PubMed	30376293
UniProt	B9W4V6\|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)

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