Structure of PDB 8cjm Chain A Binding Site BS01

Receptor Information

>8cjm Chain A (length=279) Species: 9606 (Homo sapiens)

SVPWFPKKISDLDHCANRVLGFKDNVYRKRRKYFADLAMNYKHGDPIPKV
EFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQL
EDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFY
TPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFF
TVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQEC
LITTFQDVYFVSESFEDAKEKMREFTKTI

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 8cjm Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cjm Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H272 H277 E317
• Binding residue (residue number reindexed from 1): H158 H163 E203
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.16.4: tryptophan 5-monooxygenase.

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0016714 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced pteridine as one donor, and incorporation of one atom of oxygen

Biological Process

• GO:0009072 aromatic amino acid metabolic process

External links

• PDB: RCSB:8cjm, PDBe:8cjm, PDBj:8cjm
• PDBsum: 8cjm
• PubMed: 37905925
• UniProt: P17752|TPH1_HUMAN Tryptophan 5-hydroxylase 1 (Gene Name=TPH1)