Browse entries in the PDBbind-CN Database

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Related entries of code: 3aqt
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
4e49RCSB PDB    PDBbindRCO

Entry Information
PDB ID3aqt
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBacterial regulatory proteins, tetR family
Ligand NameRCO
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=0.19uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos One Vol. 6: pp. e19529-e19529
Ligand Properties
Formula C6H6O2
Molecular Weight 110.111
Exact Mass 110.037
No. of atoms 14
No. of bonds 14
Polar Surface Area 40.46
LOGP Value 1.21      (Computed with XLOGP3)
1.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): Q8NR95  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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