Structure of PDB 4p6r Chain A Binding Site BS03

Receptor Information

>4p6r Chain A (length=287) Species: 1404 (Priestia megaterium)

KYRVRKNVLHLTDTEKRDFVRTVLILKEKGIYDRYIAWHGAAGKFHTPPG
SDRNAAHMSSAFLPWHREYLLRFERDLQSINPEVTLPYWEWETDAQMQDP
SQSQIWSADFMGGNGNPIKDFIVDTGPFAAGRWTTIDEQGNPSGGLKRNF
GATKEAPTLPTRDDVLNALKITQYDTPPWDMTSQNSFRNQLEGFINGPQL
HNRVHRWVGGQMGVVPTAPNDPVFFLHHANVDRIWAVWQIIHRNQNYQPM
KNGPFGQNFRDPMYPWNTTPEDVMNHRKLGYVYDIEL

Ligand information

• Ligand ID: TYR
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
• InChIKey: OUYCCCASQSFEME-QMMMGPOBSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc1ccc(O)cc1
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)O
  CACTVS 3.341: N[CH](Cc1ccc(O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O)cc1)C(O)=O
• Formula: C9 H11 N O3
• Name: TYROSINE
• ChEMBL: CHEMBL925
• DrugBank: DB00135
• ZINC: ZINC000000266964
• PDB chain: 4p6r Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4p6r Determination of tyrosinase substrate-binding modes reveals mechanistic differences between type-3 copper proteins.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H42 H60 H204 N205 H208 R209 V218
• Binding residue (residue number reindexed from 1): H39 H57 H201 N202 H205 R206 V215
• Annotation score: 5

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:4p6r, PDBe:4p6r, PDBj:4p6r
• PDBsum: 4p6r
• PubMed: 25074014
• UniProt: B2ZB02