Browse entries in the PDBbind-CN Database

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Related entries of code: 5ajw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ajvRCSB PDB    PDBbind520aa, >5AJV_1|Chain... *
5ajxRCSB PDB    PDBbind520aa, >5AJX_1|Chain... at 100%
5ajyRCSB PDB    PDBbind520aa, >5AJY_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 ID5ajw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN PFKFB3 catalytic domain
Ligand NameS6L
EC.Number E.C.2.7.1.105
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=0.104uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3611
Ligand Properties
Formula C24H22N5O2
Molecular Weight 412.464
Exact Mass 412.177
No. of atoms 53
No. of bonds 56
Polar Surface Area 120.71
LOGP Value 3.31      (Computed with XLOGP3)
3.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
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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