Structure of PDB 4eir Chain A Binding Site BS01

Receptor Information

>4eir Chain A (length=223) Species: 367110 (Neurospora crassa OR74A)

HTIFSSLEVNGVNQGLGEGVRVPTYNGPIEDVTSASIACNGSPNTVASTS
KVITVQAGTNVTAIWRYMLSTTGDSPADVMDSSHKGPTIAYLKKVDNAAT
ASGVGNGWFKIQQDGMDSSGVWGTERVINGKGRHSIKIPECIAPGQYLLR
AEMIALHAASNYPGAQFYMECAQLNVVGGTGAKTPSTVSFPGAYSGSDPG
VKISIYWPPVTAYTVPGPSVFTC

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: 4eir Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4eir Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases.
• Resolution: 1.1 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:4eir, PDBe:4eir, PDBj:4eir
• PDBsum: 4eir
• PubMed: 22578542
• UniProt: Q1K8B6|LPMO_NEUCR Lytic polysaccharide monooxygenase NCU01050 (Gene Name=gh61-4)