Browse entries in the PDBbind-CN Database

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Related entries of code: 5ak0
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%
5ajyRCSB PDB    PDBbind520aa, >5AJY_1|Chain... at 100%
5ajzRCSB PDB    PDBbind520aa, >5AJZ_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 ID5ak0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN PFKFB3 catalytic domain
Ligand Name8V1
EC.Number E.C.2.7.1.105
Resolution 2.03(Å)
Affinity (Kd/Ki/IC50)IC50=0.021uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3611-3625
Ligand Properties
Formula C24H26N5O2
Molecular Weight 416.496
Exact Mass 416.209
No. of atoms 57
No. of bonds 61
Polar Surface Area 77.69
LOGP Value 2.77      (Computed with XLOGP3)
4.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q16875  
Entrez Gene IDNCBI Entrez Gene ID: 5209  
ASDInformation of known allosteric effects of PDB entries

 
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