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Related entries of code: 3kba
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a28RCSB PDB    PDBbind256aa, >1A28_1|Chains... at 100%
1sqnRCSB PDB    PDBbind261aa, >1SQN_1|Chains... at 100%
1sr7RCSB PDB    PDBbind259aa, >1SR7_1|Chains... at 99%
1zucRCSB PDB    PDBbind259aa, >1ZUC_1|Chains... at 99%
2w8yRCSB PDB    PDBbind260aa, >2W8Y_1|Chains... at 98%
3g8oRCSB PDB    PDBbind263aa, >3G8O_1|Chains... *
3hq5RCSB PDB    PDBbind256aa, >3HQ5_1|Chains... 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 ID3kba
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProgesterone receptor
Ligand NameWOW
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=16nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett.
Ligand Properties
Formula C20H22ClN3O2S
Molecular Weight 403.926
Exact Mass 403.112
No. of atoms 49
No. of bonds 51
Polar Surface Area 72.79
LOGP Value 3.73      (Computed with XLOGP3)
4.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P06401  
Entrez Gene IDNCBI Entrez Gene ID: 5241  
ASDInformation of known allosteric effects of PDB entries
 
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