Browse entries in the PDBbind-CN Database

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Related entries of code: 2j4a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n46RCSB PDB    PDBbind258aa, >1N46_1|Chains... at 100%
1naxRCSB PDB    PDBbind252aa, >1NAX_1|Chain... at 100%
1nq0RCSB PDB    PDBbind263aa, >1NQ0_1|Chain... at 98%
1q4xRCSB PDB    PDBbind253aa, >1Q4X_1|Chain... at 100%
1r6gRCSB PDB    PDBbind259aa, >1R6G_1|Chain... at 99%
1xzxRCSB PDB    PDBbind281aa, >1XZX_1|Chain... *
1y0xRCSB PDB    PDBbind281aa, >1Y0X_1|Chain... at 100%
3gwsRCSB PDB    PDBbind259aa, >3GWS_1|Chain... at 100%
3imyRCSB PDB    PDBbind261aa, >3IMY_1|Chain... at 100%
3jzcRCSB PDB    PDBbind263aa, >3JZC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2j4a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN THYROID HORMONE RECEPTOR BETA LIGAND BINDING DOMAIN
Ligand NameOEF
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.025nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Bioorg. Med. Chem., Vol.15, pp.5251-5261
Ligand Properties
Formula C18H18Br2O4
Molecular Weight 458.141
Exact Mass 455.957
No. of atoms 42
No. of bonds 43
Polar Surface Area 66.76
LOGP Value 6.80      (Computed with XLOGP3)
5.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): P10828  
Entrez Gene IDNCBI Entrez Gene ID: 7068  
ASDInformation of known allosteric effects of PDB entries
 
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