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Related entries of code: 5kde
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kdfRCSB PDB    PDBbind171aa, >5KDF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5kde
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInorganic pyrophosphatase from Mycobacterium tuberculosis (MtPPiase)
Ligand Name6RT
EC.Number E.C.3.6.1.1
Resolution 2.65(Å)
Affinity (Kd/Ki/IC50)IC50=130uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) ACS Chem. Biol. Vol. 11: pp. 3084-3092
Ligand Properties
Formula C17H16N6
Molecular Weight 304.349
Exact Mass 304.144
No. of atoms 39
No. of bonds 43
Polar Surface Area 49.62
LOGP Value 2.53      (Computed with XLOGP3)
2.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): P9WI55  
Entrez Gene IDNCBI Entrez Gene ID: 885775  
ASDInformation of known allosteric effects of PDB entries

 
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