Browse entries in the PDBbind-CN Database

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Related entries of code: 4jvi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6q7wRCSB PDB    PDBbind229aa, >6Q7W_1|Chain... at 100%
6q7vRCSB PDB    PDBbind229aa, >6Q7V_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 ID4jvi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTranscriptional regulator MvfR
Ligand NameQZN
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=5uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos Pathog. Vol. 9: pp. e1003508-e1003508
Ligand Properties
Formula C17H25ClN3O
Molecular Weight 322.853
Exact Mass 322.169
No. of atoms 47
No. of bonds 48
Polar Surface Area 62.53
LOGP Value 4.83      (Computed with XLOGP3)
3.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): A0A0H2Z7A6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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