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Related entries of code: 6exm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5f1rRCSB PDB    PDBbind237aa, >5F1R_1|Chains... at 100%
6euzRCSB PDB    PDBbind239aa, >6EUZ_1|Chains... *
6ev0RCSB PDB    PDBbind239aa, >6EV0_1|Chains... at 100%
6hckRCSB PDB    PDBbind239aa, >6HCK_1|Chains... 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 ID6exm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameListeriolysin positive regulatory factor A
Ligand NameQQH
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=3.0uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 4165-4175
Ligand Properties
Formula C19H22N2O3S
Molecular Weight 358.455
Exact Mass 358.135
No. of atoms 47
No. of bonds 49
Polar Surface Area 87.84
LOGP Value 3.44      (Computed with XLOGP3)
2.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): P22262  
Entrez Gene IDNCBI Entrez Gene ID: 987031  
ASDInformation of known allosteric effects of PDB entries
 
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