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Related entries of code: 5knj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ko1RCSB PDB    PDBbind283aa, >5KO1_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 ID5knj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePseudokinase Domain of Mixed lineage kinase domain-like protein (MLKL)
Ligand Name6UX
EC.Number E.C.-.-.-.-
Resolution 2.88(Å)
Affinity (Kd/Ki/IC50)Kd=116nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0165983-e0165983
Ligand Properties
Formula C25H22F3N7O4S
Molecular Weight 573.547
Exact Mass 573.141
No. of atoms 62
No. of bonds 65
Polar Surface Area 159.95
LOGP Value 4.40      (Computed with XLOGP3)
7.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 11
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): Q8NB16  
Entrez Gene IDNCBI Entrez Gene ID: 197259  
ASDInformation of known allosteric effects of PDB entries
 
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