Structure of PDB 1h1m Chain A Binding Site BS02

Receptor Information

>1h1m Chain A (length=344) Species: 34381 (Aspergillus japonicus)

SSLIVEDAPDHVRPYVIRHYSHARAVTVDTQLYRFYVTGPSSGYAFTLMG
TNAPHSDALGVLPHIHQKHYENFYCNKGSFQLWAQSGNETQQTRVLSSGD
YGSVPRNVTHTFQIQDPDTEMTGVIVPGGFEDLFYYLGTNATDTTHTPYI
PSSSTTGPDSSTISTLQSFDVYAELSFTPRTDTVNGTAPANTVWHTGANA
LASTAGDPYFIANGWGPKYLNSQYGYQIVAPFVTATQAQDTNYTLSTISM
STTPSTVTVPTWSFPGACAFQVQEGRVVVQIGDYAATELGSGDVAFIPGG
VEFKYYSEAYFSKVLFVSSGSDGLDQNLVNGGEEWSSVSFPADW

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: 1h1m Chain A Residue 1361

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1h1m Anaerobic Enzyme.Substrate Structures Provide Insight Into the Reaction Mechanism of the Copper- Dependent Quercetin 2,3-Dioxygenase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H66 H68 E73 H112
• Binding residue (residue number reindexed from 1): H64 H66 E71 H110
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H66 H68 E73 H112
• Catalytic site (residue number reindexed from 1): H64 H66 E71 H110
• Enzyme Commision number: 1.13.11.24: quercetin 2,3-dioxygenase.

Gene Ontology

Molecular Function

• GO:0008127 quercetin 2,3-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

External links

• PDB: RCSB:1h1m, PDBe:1h1m, PDBj:1h1m
• PDBsum: 1h1m
• PubMed: 12486225
• UniProt: Q7SIC2|QDOI_ASPJA Quercetin 2,3-dioxygenase