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Related entries of code: 3t6y
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... *
3t64RCSB PDB    PDBbind181aa, >3T64_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 ID3t6y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDeoxyuridine 5'-triphosphate nucleotidohydrolase, putative
Ligand NameDU2
EC.Number E.C.3.6.1.23
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=3.0uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chemmedchem Vol. 6: pp. 1816-1831
Ligand Properties
Formula C20H24N5O4
Molecular Weight 398.436
Exact Mass 398.183
No. of atoms 53
No. of bonds 56
Polar Surface Area 118.75
LOGP Value 0.24      (Computed with XLOGP3)
-0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
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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