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Related entries of code: 3tvl
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3tvl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThiamine-triphosphatase
Ligand Name3PO
EC.Number E.C.3.6.1.28
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd<0.1mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochim.Biophys.Acta Vol. 1830: pp. 4513-4523
Ligand Properties
Formula H8O10P3
Molecular Weight 260.979
Exact Mass 260.933
No. of atoms 21
No. of bonds 20
Polar Surface Area 221.07
LOGP Value -4.69      (Computed with XLOGP3)
-2.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 0
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): Q9BU02  
Entrez Gene IDNCBI Entrez Gene ID: 79178  
ASDInformation of known allosteric effects of PDB entries

 
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