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Related entries of code: 3t64
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1vyqRCSB PDB    PDBbind173aa, >1VYQ_1|Chains... at 100%
2y8cRCSB PDB    PDBbind173aa, >2Y8C_1|Chains... at 100%
3t60RCSB PDB    PDBbind181aa, >3T60_1|Chains... *
3t6yRCSB PDB    PDBbind181aa, >3T6Y_1|Chains... at 98%
3t70RCSB PDB    PDBbind181aa, >3T70_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3t64
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDeoxyuridine 5'-triphosphate nucleotidohydrolase, putative
Ligand NameDU3
EC.Number E.C.3.6.1.23
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Ki=0.2uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chemmedchem Vol. 6: pp. 1816-1831
Ligand Properties
Formula C22H24N3O4
Molecular Weight 394.444
Exact Mass 394.177
No. of atoms 53
No. of bonds 56
Polar Surface Area 100.93
LOGP Value 2.12      (Computed with XLOGP3)
0.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
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): Q8II92  
Entrez Gene IDNCBI Entrez Gene ID: 810829  
ASDInformation of known allosteric effects of PDB entries

 
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