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Related entries of code: 2j87
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
1h79RCSB PDB    PDBbindTTP
1oe0RCSB PDB    PDBbindTTP
1zm7RCSB PDB    PDBbindTTP
2j4qRCSB PDB    PDBbindTTP
4uxjRCSB PDB    PDBbindTTP
5c2oRCSB PDB    PDBbindTTP
6czcRCSB PDB    PDBbindTTP
6ipjRCSB PDB    PDBbindTTP
Entry Information
PDB ID2j87
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThymidine Kinase
Ligand NameTTP
EC.Number E.C.2.7.1.21
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)IC50=14uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference (2006) Bmc Struct.Biol. Vol. 6: pp. 22
Ligand Properties
Formula C10H20N2O14P3
Molecular Weight 485.192
Exact Mass 485.013
No. of atoms 49
No. of bonds 50
Polar Surface Area 294.39
LOGP Value -5.12      (Computed with XLOGP3)
-2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 2
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): O57203  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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