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Related entries of code: 5ajy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ajvRCSB PDB    PDBbind520aa, >5AJV_1|Chain... *
5ajwRCSB PDB    PDBbind520aa, >5AJW_1|Chain... at 100%
5ajxRCSB PDB    PDBbind520aa, >5AJX_1|Chain... at 100%
5ajzRCSB PDB    PDBbind520aa, >5AJZ_1|Chain... at 100%
5ak0RCSB PDB    PDBbind520aa, >5AK0_1|Chain... at 100%
6etjRCSB PDB    PDBbind520aa, >6ETJ_1|Chain... at 100%
6hvhRCSB PDB    PDBbind520aa, >6HVH_1|Chain... at 100%
6hviRCSB PDB    PDBbind520aa, >6HVI_1|Chain... at 100%
6hvjRCSB PDB    PDBbind520aa, >6HVJ_1|Chain... at 100%
6ic0RCSB PDB    PDBbind428aa, >6IC0_1|Chain... at 100%
6ibzRCSB PDB    PDBbind431aa, >6IBZ_1|Chain... at 100%
6ibyRCSB PDB    PDBbind428aa, >6IBY_1|Chain... at 100%
6ibxRCSB PDB    PDBbind429aa, >6IBX_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 ID5ajy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN PFKFB3 catalytic domain
Ligand Name87T
EC.Number E.C.2.7.1.105
Resolution 2.37(Å)
Affinity (Kd/Ki/IC50)IC50=0.496uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3611-3625
Ligand Properties
Formula C20H20N5O2
Molecular Weight 362.405
Exact Mass 362.162
No. of atoms 47
No. of bonds 50
Polar Surface Area 99.58
LOGP Value 1.78      (Computed with XLOGP3)
2.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q16875  
Entrez Gene IDNCBI Entrez Gene ID: 5209  
ASDInformation of known allosteric effects of PDB entries
 
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