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Related entries of code: 5mf6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5y2fRCSB PDB    PDBbind316aa, >5Y2F_1|Chain... *
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 ID5mf6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNAD-dependent protein deacetylase sirtuin-6, Human Sirt6
Ligand Name7M2
EC.Number E.C.3.5.1
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)Kd=44uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 1007-1011
Ligand Properties
Formula C16H13N3
Molecular Weight 247.295
Exact Mass 247.111
No. of atoms 32
No. of bonds 35
Polar Surface Area 29.85
LOGP Value 2.54      (Computed with XLOGP3)
3.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
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): Q8N6T7  
Entrez Gene IDNCBI Entrez Gene ID: 51548  
ASDInformation of known allosteric effects of PDB entries
 
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