Structure of PDB 5tki Chain A Binding Site BS01

Receptor Information

>5tki Chain A (length=223) Species: 5141 (Neurospora crassa)

HTIFSSLEVNGVNQGLGEGVRVPTYNGPIEDVTSASIACNGSPNTVASTS
KVITVQAGTNVTAIWRYMLSTTGDSPADVMDSSHKGPTIAYLKKVDNAAT
ASGVGNGWFKIQQDGMDSSGVWGTERVINGKGRHSIKIPECIAPGQYLLR
AEMIALHAASNYPGAQFYMECAQLNVVGGTGAKTPSTVSFPGAYSGSDPG
VKISIYWPPVTSYTVPGPSVFTC

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 5tki Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5tki Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): H1 H84
• Binding residue (residue number reindexed from 1): H1 H84
• Annotation score: 3

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

External links

• PDB: RCSB:5tki, PDBe:5tki, PDBj:5tki
• PDBsum: 5tki
• PubMed: 28004877
• UniProt: Q1K8B6|LPMO_NEUCR Lytic polysaccharide monooxygenase NCU01050 (Gene Name=gh61-4)