Browse entries in the PDBbind-CN Database

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Related entries of code: 6q7v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jviRCSB PDB    PDBbind216aa, >4JVI_1|Chain... at 100%
6q7wRCSB PDB    PDBbind229aa, >6Q7W_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 ID6q7v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTranscriptional regulator PqsR (MvfR) ligand-binding domain
Ligand NameHLK
EC.Number E.C.-.-.-.-
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)IC50=2.6uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) Chemmedchem Vol. 15: pp. 188-194
Ligand Properties
Formula C13H11F4N3
Molecular Weight 285.240
Exact Mass 285.089
No. of atoms 31
No. of bonds 32
Polar Surface Area 50.94
LOGP Value 3.00      (Computed with XLOGP3)
4.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): Q9I4X0  
Entrez Gene IDNCBI Entrez Gene ID: 879994  
ASDInformation of known allosteric effects of PDB entries
 
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