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Related entries of code: 1sqi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1tfzRCSB PDB    PDBbind869

Entry Information
PDB ID1sqi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name4-hydroxyphenylpyruvic acid dioxygenase
Ligand Name869
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)IC50<20nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 10414-23, 2004
Ligand Properties
Formula C23H26N2O5S
Molecular Weight 442.528
Exact Mass 442.156
No. of atoms 57
No. of bonds 59
Polar Surface Area 101.49
LOGP Value 3.20      (Computed with XLOGP3)
3.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P32755  
Entrez Gene IDNCBI Entrez Gene ID: 29531  
ASDInformation of known allosteric effects of PDB entries

 
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