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Related entries of code: 5ko1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5knjRCSB PDB    PDBbind283aa, >5KNJ_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ko1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePseudokinase Domain of Mixed lineage kinase domain-like protein (MLKL)
Ligand Name6UY
EC.Number E.C.-.-.-.-
Resolution 2.16(Å)
Affinity (Kd/Ki/IC50)Kd=230nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0165983-e0165983
Ligand Properties
Formula C19H15FN4O3
Molecular Weight 366.346
Exact Mass 366.113
No. of atoms 42
No. of bonds 44
Polar Surface Area 107.2
LOGP Value 2.87      (Computed with XLOGP3)
3.39      (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): Q8NB16  
Entrez Gene IDNCBI Entrez Gene ID: 197259  
ASDInformation of known allosteric effects of PDB entries
 
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