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Related entries of code: 6maj
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6maj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameKAT7
Ligand NameJAV
EC.Number E.C.-.-.-.-
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Kd=0.034uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) Nature Vol. 577: pp. 266-270
Ligand Properties
Formula C20H17FN2O4S
Molecular Weight 400.423
Exact Mass 400.089
No. of atoms 45
No. of bonds 47
Polar Surface Area 103.88
LOGP Value 3.79      (Computed with XLOGP3)
4.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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): O95251  O95696  
Entrez Gene IDNCBI Entrez Gene ID: 11143  23774  
ASDInformation of known allosteric effects of PDB entries
 
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