Structure of PDB 3nq5 Chain A Binding Site BS02

Receptor Information

>3nq5 Chain A (length=285) Species: 1404 (Priestia megaterium)

KYRVRKNVLHLTDTEKRDFVRTVLILKEKGIYDRYIAWHGAAGKFHTPPG
SDRNAAHMSSAFLPWHREYLLRFERDLQSINPEVTLPYWEWETDAQMQDP
SQSQIWSADFMGGNGNPIKDFIVDTGPFAAGRWTTIDEQGNPSGGLKRNF
GATKEAPTLPTRDDVLNALKITQYDTPPWDMTSQNSFRNQLEGFINGPQL
HNRVHHWVGGQMGVVPTAPNDPVFFLHHANVDRIWAVWQIIHRNQNYQPM
KNGPFGQNFRDPMYPWNTTPEDVMNHRKLGYVYDI

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: 3nq5 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3nq5 First structures of an active bacterial tyrosinase reveal copper plasticity.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H204 H208 H231
• Binding residue (residue number reindexed from 1): H201 H205 H228
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H60 H69
• Catalytic site (residue number reindexed from 1): H57 H66
• Enzyme Commision number: 1.14.18.1: tyrosinase.

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3nq5, PDBe:3nq5, PDBj:3nq5
• PDBsum: 3nq5
• PubMed: 21040728
• UniProt: B2ZB02