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Related entries of code: 5km5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5km9RCSB PDB    PDBbind142aa, >5KM9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4fyhRCSB PDB    PDBbindTR5
Entry Information
PDB ID5km5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistidine triad nucleotide-binding protein 2, mitochondrial
Ligand NameTR5
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.121uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula C13H19N6O7P
Molecular Weight 402.300
Exact Mass 402.105
No. of atoms 46
No. of bonds 49
Polar Surface Area 209
LOGP Value -1.51      (Computed with XLOGP3)
-1.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
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): Q9BX68  
Entrez Gene IDNCBI Entrez Gene ID: 84681  
ASDInformation of known allosteric effects of PDB entries
 
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