Browse entries in the PDBbind-CN Database

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Related entries of code: 3o6t
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3o6t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethioredoxin C C40S mutant(MtbTrxCC40S)
Ligand NamePX5
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Protein Sci. Vol. 20: pp. 210-215
Ligand Properties
Formula C13H11NO2S
Molecular Weight 245.297
Exact Mass 245.051
No. of atoms 28
No. of bonds 30
Polar Surface Area 78.43
LOGP Value 1.76      (Computed with XLOGP3)
2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): P9WG67  
Entrez Gene IDNCBI Entrez Gene ID: 45427914  886241  
ASDInformation of known allosteric effects of PDB entries
 
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