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Related entries of code: 5uz0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1p4rRCSB PDB    PDBbind592aa, >1P4R_1|Chains... at 99%
1pkxRCSB PDB    PDBbind592aa, >1PKX_1|Chains... at 99%
1pl0RCSB PDB    PDBbind592aa, >1PL0_1|Chains... at 99%
5uy8RCSB PDB    PDBbind601aa, >5UY8_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5uz0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBifunctional purine biosynthesis protein PURH
Ligand Name8US
EC.Number E.C.-.-.-.-
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)IC50=16nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 9599-9616
Ligand Properties
Formula C17H16FN3O4S2
Molecular Weight 409.455
Exact Mass 409.057
No. of atoms 43
No. of bonds 46
Polar Surface Area 139.12
LOGP Value 1.94      (Computed with XLOGP3)
3.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P31939  
Entrez Gene IDNCBI Entrez Gene ID: 471  
ASDInformation of known allosteric effects of PDB entries

 
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