Structure of PDB 5mej Chain A Binding Site BS05

Receptor Information
>5mej Chain A (length=499) Species: 627145 (Steccherinum murashkinskyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQIGPVTDLHITNANISPDGFSRPAVLAGGTFPGPTIAGNTGDNFQITVF
NDLTDPSMLTDTSIHWHGLFQKGTNWADGPAFVTQCPIITGQSFDYNFNV
PGQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPNASLYDVDDDTTIITLA
DWYHTLAQQEPIGAAITADATLINGLGRSFTNTTASPLSVITVQSGKRYR
MRLVSISCDPNYLFSIDGHDMTIIEVDGVNSQQLTVDQIQIFAAQRYSFV
LNANQPVGNYWIRAQPNSGGQGFDGGINSAILRYEGATVEDPTTTAPTTF
SNPLVETDLHPLADLGVPGQPFRGGADDPLVLNLAFANGRFSIDGVSFVP
PTVPVLLQILSGAQNAQDLLPAGSVISLPSNSVIEVALPAGAAGGPHPFH
LHGHNFAVVQSANNATPNYVNPIWRDTVSIGGTGDNVTIRFTTNNPGPWF
LHCHIDWHLEAGFAIVFAEDIPDTASANPVPQAWSDLCPAYDQAHNIST
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain5mej Chain A Residue 511 [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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PDB5mej Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H110 H112 H452 H454
Binding residue
(residue number reindexed from 1)		H110 H112 H452 H454
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H65 H67 H110 H112 H397 H400 H402 H452 C453 H454 I455 H458 F463
Catalytic site (residue number reindexed from 1) H65 H67 H110 H112 H397 H400 H402 H452 C453 H454 I455 H458 F463
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5mej, PDBe:5mej, PDBj:5mej
PDBsum5mej
PubMed28471364
UniProtI1VE66

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