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Related entries of code: 2o48
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2poqRCSB PDB    PDBbind334aa, >2POQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2o48
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDimeric dihydrodiol
Ligand NameAC6
EC.Number E.C.1.3.1.20
Resolution 2.59(Å)
Affinity (Kd/Ki/IC50)IC50=0.97uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Proteins v70 pp. 176-87, 2008
Ligand Properties
Formula C8H8O2
Molecular Weight 136.148
Exact Mass 136.052
No. of atoms 18
No. of bonds 18
Polar Surface Area 37.3
LOGP Value 1.25      (Computed with XLOGP3)
1.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
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): Q9TQS6  
Entrez Gene IDNCBI Entrez Gene ID: 102133381  
ASDInformation of known allosteric effects of PDB entries

 
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