Browse entries in the PDBbind-CN Database

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Related entries of code: 3r2a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kkqRCSB PDB    PDBbind19aa, >1KKQ_2|Chains... *
4oarRCSB PDB    PDBbind17aa, >4OAR_2|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ie7RCSB PDB    PDBbindRHN
4rfrRCSB PDB    PDBbindRHN

Entry Information
PDB ID3r2a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRXR-alpha and LBD-SMRT
Ligand NameRHN
EC.Number E.C.-.-.-.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=0.75uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 24593-24598
Ligand Properties
Formula C15H8O6
Molecular Weight 284.220
Exact Mass 284.032
No. of atoms 29
No. of bonds 31
Polar Surface Area 111.9
LOGP Value 3.32      (Computed with XLOGP3)
1.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): Q9Y618  P19793  
Entrez Gene IDNCBI Entrez Gene ID: 9612  6256  
ASDInformation of known allosteric effects of PDB entries

 
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