Structure of PDB 5tkg Chain B Binding Site BS01

Receptor Information
>5tkg Chain B (length=223) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTIFSSLEVNGVNQGLGEGVRVPTYNGPIEDVTSASIACNGSPNTVASTS
KVITVQAGTNVTAIWRYMLSTTGDSPADVMDSSHKGPTIAYLKKVDNAAT
ASGVGNGWFKIQQDGMDSSGVWGTERVINGKGRHSIKIPECIAPGQYLLR
AEMIALHAASNYPGAQFYMECAQLNVVGGTGAKTPSTVSFPGAYSGSDPG
VKISIYWPPVTSYTVPGPSVFTC
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 chain5tkg Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tkg Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		H157 Q166
Binding residue
(residue number reindexed from 1)		H157 Q166
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.99.56: lytic cellulose monooxygenase (C4-dehydrogenating).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005507 copper ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0019825 oxygen binding
GO:0046872 metal ion binding
Biological Process
GO:0030245 cellulose catabolic process
GO:0071999 extracellular polysaccharide catabolic process
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:5tkg, PDBe:5tkg, PDBj:5tkg
PDBsum5tkg
PubMed28004877
UniProtQ1K8B6|LPMO_NEUCR Lytic polysaccharide monooxygenase NCU01050 (Gene Name=gh61-4)

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