Structure of PDB 5mie Chain A Binding Site BS05

Receptor Information
>5mie 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 chain5mie Chain A Residue 609 [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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PDB5mie Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		H65 H110 H112 H400 H452 H454
Binding residue
(residue number reindexed from 1)		H65 H110 H112 H400 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

View graph for
Molecular Function
External links
PDB RCSB:5mie, PDBe:5mie, PDBj:5mie
PDBsum5mie
PubMed28471364
UniProtI1VE66

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