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Related entries of code: 4pdk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4pdk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFadR, Fatty Acid Responsive Transcription Factor from Vibrio cholerae
Ligand Name3VV
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=6nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nat Commun Vol. 6: pp. 6032-6032
Ligand Properties
Formula C39H71N7O17P3S
Molecular Weight 1035.000
Exact Mass 1034.380
No. of atoms 138
No. of bonds 140
Polar Surface Area 439.18
LOGP Value 1.51      (Computed with XLOGP3)
4.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 24
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): Q9KQU8  
Entrez Gene IDNCBI Entrez Gene ID: 57740533  
ASDInformation of known allosteric effects of PDB entries
 
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