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Related entries of code: 6ibz
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%
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%
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 ID6ibz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePFKFB3
Ligand NameHAW
EC.Number E.C.-.-.-.-
Resolution 2.44(Å)
Affinity (Kd/Ki/IC50)IC50=22nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg. Med. Chem. Lett. Vol. 29: pp. 646-653
Ligand Properties
Formula C28H23N7O2S
Molecular Weight 521.593
Exact Mass 521.163
No. of atoms 61
No. of bonds 66
Polar Surface Area 123.07
LOGP Value 3.75      (Computed with XLOGP3)
6.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
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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