Structure of PDB 7pu1 Chain AAA Binding Site BS01

Receptor Information
>7pu1 Chain AAA (length=228) Species: 5087 (Thermoascus aurantiacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGFVQNIVIDGKNYGGYLVNQYPYMSNPPEVIAWSTTATDLGFVDGTGYQ
TPDIICHRGAKPGALTAPVSPGGTVELQWTPWPDSHHGPVINYLAPCNGD
CSTVDKTQLEFFKIAESGLINDDNPPGIWASDNLIAANNSWTVTIPTTIA
PGNYVLRHEIIALHSAQNQDGAQNYPQCINLQVTGGGSDNPAGTLGTALY
HDTDPGILINIYQKLSSYIIPGPPLYTG
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain7pu1 Chain AAA Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pu1 Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Resolution1.06 Å
Binding residue
(original residue number in PDB)		H1 H86
Binding residue
(residue number reindexed from 1)		H1 H86
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0008810 cellulase activity
GO:0046872 metal ion binding
Biological Process
GO:0030245 cellulose 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:7pu1, PDBe:7pu1, PDBj:7pu1
PDBsum7pu1
PubMed35204695
UniProtG3XAP7|LP9A_THEAU AA9 family lytic polysaccharide monooxygenase A (Fragment) (Gene Name=LPMO9A)

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