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Related entries of code: 5j6d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hf6RCSB PDB    PDBbind290aa, >3HF6_1|Chain... at 99%
3hf8RCSB PDB    PDBbind290aa, >3HF8_1|Chain... at 99%
3hfbRCSB PDB    PDBbind290aa, >3HFB_1|Chain... at 99%
5l01RCSB PDB    PDBbind444aa, >5L01_1|Chain... *
5tpgRCSB PDB    PDBbind307aa, >5TPG_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5j6d
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTryptophan 5-hydroxylase 1, TPH1
Ligand Name6H5
EC.Number E.C.1.14.16.4
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=6nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Bioorg.Med.Chem.Lett. Vol. 26: pp. 2855-2860
Ligand Properties
Formula C30H37N5O5
Molecular Weight 547.645
Exact Mass 547.279
No. of atoms 77
No. of bonds 80
Polar Surface Area 155.73
LOGP Value 3.19      (Computed with XLOGP3)
2.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P17752  
Entrez Gene IDNCBI Entrez Gene ID: 7166  
ASDInformation of known allosteric effects of PDB entries
 
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