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Related entries of code: 2i4t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1z34RCSB PDB    PDBbind235aa, >1Z34_1|Chain... at 100%
2iscRCSB PDB    PDBbind239aa, >2ISC_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4i72RCSB PDB    PDBbindUA2
Entry Information
PDB ID2i4t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTricomonas vaginalis purine nucleoside phosphorylase(TvPNP)
Ligand NameUA2
EC.Number E.C.2.4.2.1
Resolution 2.74(Å)
Affinity (Kd/Ki/IC50)Ki=1nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry. 2007, 46, 659-668.
Ligand Properties
Formula C11H16N5O3
Molecular Weight 266.276
Exact Mass 266.125
No. of atoms 35
No. of bonds 37
Polar Surface Area 144.89
LOGP Value -2.06      (Computed with XLOGP3)
-0.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): A2E7Y6  
Entrez Gene IDNCBI Entrez Gene ID: 4769164  
ASDInformation of known allosteric effects of PDB entries
 
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