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Related entries of code: 4jt8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bvbRCSB PDB    PDBbind284aa, >4BVB_1|Chain... at 99%
4fz3RCSB PDB    PDBbind283aa, >4FZ3_1|Chain... at 99%
4jsrRCSB PDB    PDBbind285aa, >4JSR_1|Chain... *
4jt9RCSB PDB    PDBbind285aa, >4JT9_1|Chain... at 100%
6isoRCSB PDB    PDBbind275aa, >6ISO_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4jt8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNAD-dependent protein deacetylase sirtuin-3, mitochondrial
Ligand Name1NR
EC.Number E.C.3.5.1
Resolution 2.26(Å)
Affinity (Kd/Ki/IC50)IC50=0.033uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3666-3679
Ligand Properties
Formula C19H27N5O2S
Molecular Weight 389.515
Exact Mass 389.189
No. of atoms 54
No. of bonds 56
Polar Surface Area 129.45
LOGP Value 2.79      (Computed with XLOGP3)
3.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): Q9NTG7  
Entrez Gene IDNCBI Entrez Gene ID: 23410  
ASDInformation of known allosteric effects of PDB entries

 
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