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Related entries of code: 5y2f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5mf6RCSB PDB    PDBbind302aa, >5MF6_1|Chains... at 98%
6hoyRCSB PDB    PDBbind302aa, >6HOY_1|Chains... at 98%
6qcjRCSB PDB    PDBbind302aa, >6QCJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5y2f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSIRT6
Ligand Name8L9
EC.Number E.C.-.-.-.-
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)Kd=7.0uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat. Chem. Biol. Vol. 14: pp. 1118-1126
Ligand Properties
Formula C20H14BrCl2FN2O6S2
Molecular Weight 612.273
Exact Mass 609.884
No. of atoms 48
No. of bonds 50
Polar Surface Area 146.4
LOGP Value 5.99      (Computed with XLOGP3)
7.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): Q8N6T7  P68431  
Entrez Gene IDNCBI Entrez Gene ID: 51548  8350  8351  8352  8353  8354  8355  8356  8357  8358  8968  
ASDInformation of known allosteric effects of PDB entries

 
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