Structure of PDB 6pz0 Chain A Binding Site BS02

Receptor Information

>6pz0 Chain A (length=185) Species: 309803 (Thermotoga neapolitana DSM 4359)

KMLYDLAKKRKTVRRFKKEKPPLEDLIYSLKVANEAPSGMNAQPWRFLIV
EDEKLKGQIRRVCERSEKTFYENVRGRLKEWLDEKRFTWRKPFLKEAPYL
LLVFSEKSAPYSRESVWLAVGYLLLALEEKGLGSVPYTPPDFREVEKLVN
TPSELRLEVILPVGYPDDPKPKYPRNEVIVRYNTF

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: 6pz0 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6pz0 The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E68 Y72 L83 K92
• Binding residue (residue number reindexed from 1): E67 Y71 L82 K91
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 1.21.1.1: iodotyrosine deiodinase.

Gene Ontology

Molecular Function

• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity
• GO:0072545 L-tyrosine binding
• GO:0140616 iodotyrosine deiodinase activity

Biological Process

• GO:0006570 tyrosine metabolic process

External links

• PDB: RCSB:6pz0, PDBe:6pz0, PDBj:6pz0
• PDBsum: 6pz0
• PubMed: 34748729
• UniProt: B9K712|IYD_THENN Iodotyrosine deiodinase (Gene Name=IYD)