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Related entries of code: 4k6i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pq6RCSB PDB    PDBbind253aa, >1PQ6:D|PDBID|CHAIN|... at 97%
1pqcRCSB PDB    PDBbind253aa, >1PQC:D|PDBID|CHAIN|... at 97%
3kfcRCSB PDB    PDBbind253aa, >3KFC:D|PDBID|CHAIN|... at 97%
3o1dRCSB PDB    PDBbind13aa, >3O1D:B|PDBID|CHAIN|... at 92%
3o1eRCSB PDB    PDBbind13aa, >3O1E:B|PDBID|CHAIN|... at 92%
3ozjRCSB PDB    PDBbind11aa, >3OZJ:D|PDBID|CHAIN|... at 90%
3oapRCSB PDB    PDBbind11aa, >3OAP:B|PDBID|CHAIN|... at 90%
4fhhRCSB PDB    PDBbind13aa, >4FHH:B|PDBID|CHAIN|... at 92%
4fhiRCSB PDB    PDBbind13aa, >4FHI:B|PDBID|CHAIN|... at 92%
4k4jRCSB PDB    PDBbind13aa, >4K4J:B|PDBID|CHAIN|... at 92%
4m8eRCSB PDB    PDBbind11aa, >4M8E:B|PDBID|CHAIN|... at 90%
4m8hRCSB PDB    PDBbind11aa, >4M8H:B|PDBID|CHAIN|... at 90%
4pohRCSB PDB    PDBbind13aa, >4POH:B|PDBID|CHAIN|... at 92%
4pojRCSB PDB    PDBbind13aa, >4POJ:B|PDBID|CHAIN|... at 92%
4pp3RCSB PDB    PDBbind13aa, >4PP3:B|PDBID|CHAIN|... at 92%
4pp5RCSB PDB    PDBbind13aa, >4PP5:B|PDBID|CHAIN|... at 92%
4rakRCSB PDB    PDBbind264aa, >4RAK:B|PDBID|CHAIN|... at 95%
4rmeRCSB PDB    PDBbind13aa, >4RME:B|PDBID|CHAIN|... at 92%
4zshRCSB PDB    PDBbind13aa, >4ZSH:B|PDBID|CHAIN|... at 92%
5jy3RCSB PDB    PDBbind264aa, >5JY3:D|PDBID|CHAIN|... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4k6i
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameRetinoic acid receptor RXR-alpha
Ligand Name9RA
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.629uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2014) J.Biol.Chem. Vol. 289: pp. 814-826
Ligand Properties
Formula C24H28O2
Molecular Weight 348.478
Exact Mass 348.209
No. of atoms 54
No. of bonds 56
Polar Surface Area 37.3
LOGP Value 8.68      (Computed with XLOGP3)
6.10      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): P19793  Q15596  
Entrez Gene IDNCBI Entrez Gene ID: 6256  10499  
ASDInformation of known allosteric effects of PDB entries

 
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