Structure of PDB 2yor Chain B Binding Site BS04

Receptor Information
>2yor Chain B (length=324) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNGV
ATPVQIINAVQEGLNFDNQAAVFATYAAHLVDGNLITDLLSIGRKTRLTG
PDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYSN
RFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPANL
FVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVIQAHPM
QPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRKA
LNTNLDFFFQGVAAGCTQVFPYGR
Ligand information
Ligand IDMZ0
InChIInChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKeyQDYTUZCWBJRHKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c([nH]cn1)CO
ACDLabs 12.01OCc1cncn1
CACTVS 3.385OCc1[nH]cnc1
FormulaC4 H6 N2 O
Name1H-imidazol-5-ylmethanol;
4(5)-(hydroxymethyl)imidazole
ChEMBLCHEMBL1397797
DrugBank
ZINCZINC000003861563
PDB chain2yor Chain B Residue 354 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yor Structural Basis of Substrate Conversion in a New Aromatic Peroxygenase: P450 Functionality with Benefits
Resolution2.19 Å
Binding residue
(original residue number in PDB)		T192 E196 F199
Binding residue
(residue number reindexed from 1)		T189 E193 F196
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:2yor, PDBe:2yor, PDBj:2yor
PDBsum2yor
PubMed24126915
UniProtB9W4V6|APO1_CYCAE Aromatic peroxygenase (Gene Name=APO1)

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