Structure of PDB 2boq Chain A Binding Site BS04

Receptor Information
>2boq Chain A (length=319) Species: 5323 (Pleurotus eryngii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATCDDGRTTANAACCILFPILDDIQENLFDGAQCGEEVHESLRLTFHDAI
GFSPTLGGGGADGSIIAFDTIETNFPANAGIDEIVSAQKPFVAKHNISAG
DFIQFAGAVGVSNCPGGVRIPFFLGRPDAVAASPDHLVPEPFDSVDSILA
RMGDAGFSPVEVVWLLASHSIAAADKVDPSIPGTPFDSTPEVFDSQFFIE
TQLKGRLFPGTADNKGEAQSPLQGEIRLQSDHLLARDPQTACEWQSMVNN
QPKIQNRFAATMSKMALLGQDKTKLIDCSDVIPTPPALVGAAHLPAGFSL
SDVEQACAATPFPALTADP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2boq Chain A Residue 1328 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2boq Versatile Peroxidase Oxidation of High Redox Potential Aromatic Compounds: Site-Directed Mutagenesis, Spectroscopic and Crystallographic Investigation of Three Long-Range Electron Transfer Pathways.
Resolution1.33 Å
Binding residue
(original residue number in PDB)		E36 D175
Binding residue
(residue number reindexed from 1)		E36 D175
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R43 H47 H169 F186 D231
Catalytic site (residue number reindexed from 1) R43 H47 H169 F186 D231
Enzyme Commision number 1.11.1.16: versatile peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016689 manganese peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0052750 reactive-black-5:hydrogen-peroxide oxidoreductase activity
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0046274 lignin catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2boq, PDBe:2boq, PDBj:2boq
PDBsum2boq
PubMed16246366
UniProtO94753|VPL2_PLEER Versatile peroxidase VPL2 (Gene Name=vpl2)

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