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Related entries of code: 4u0w
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
6fv4RCSB PDB    PDBbind16G

Entry Information
PDB ID4u0w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHTH-type transcriptional repressor YvoA
Ligand Name16G
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=1mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nucleic Acids Res. Vol. 43: pp. 1283-1296
Ligand Properties
Formula C8H17NO9P
Molecular Weight 302.196
Exact Mass 302.064
No. of atoms 36
No. of bonds 36
Polar Surface Area 182.53
LOGP Value -4.40      (Computed with XLOGP3)
-3.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 1
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): O34817  
Entrez Gene IDNCBI Entrez Gene ID: 936626  
ASDInformation of known allosteric effects of PDB entries

 
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