Structure of PDB 8cjl Chain A Binding Site BS01

Receptor Information

>8cjl Chain A (length=284) Species: 9606 (Homo sapiens)

SVPWFPKKISDLDHCANRVDADHPGFKDNVYRKRRKYFADLAMNYKHGDP
IPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDN
IPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSS
DPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLAT
CYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITC
KQECLITTFQDVYFVSESFEDAKEKMREFTKTIK

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: 8cjl Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cjl Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): H272 H277 E317
• Binding residue (residue number reindexed from 1): H162 H167 E207
• 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:8cjl, PDBe:8cjl, PDBj:8cjl
• PDBsum: 8cjl
• PubMed: 37905925
• UniProt: P17752|TPH1_HUMAN Tryptophan 5-hydroxylase 1 (Gene Name=TPH1)