Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 4k6i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3b0wRCSB PDB    PDBbind243aa, >3B0W:B|PDBID|CHAIN|... at 100%
3o1dRCSB PDB    PDBbind13aa, >3O1D:B|PDBID|CHAIN|... at 100%
3o1eRCSB PDB    PDBbind13aa, >3O1E:B|PDBID|CHAIN|... at 100%
3oapRCSB PDB    PDBbind11aa, >3OAP:B|PDBID|CHAIN|... at 100%
3ozjRCSB PDB    PDBbind11aa, >3OZJ:D|PDBID|CHAIN|... at 100%
4fhhRCSB PDB    PDBbind13aa, >4FHH:B|PDBID|CHAIN|... at 100%
4fhiRCSB PDB    PDBbind13aa, >4FHI:B|PDBID|CHAIN|... at 100%
4k4jRCSB PDB    PDBbind13aa, >4K4J:B|PDBID|CHAIN|... at 100%
4m8eRCSB PDB    PDBbind11aa, >4M8E:B|PDBID|CHAIN|... at 100%
4m8hRCSB PDB    PDBbind11aa, >4M8H:B|PDBID|CHAIN|... at 100%
4nb6RCSB PDB    PDBbind251aa, >4NB6:B|PDBID|CHAIN|... at 97%
4nieRCSB PDB    PDBbind12aa, >4NIE:D|PDBID|CHAIN|... at 100%
4pohRCSB PDB    PDBbind13aa, >4POH:B|PDBID|CHAIN|... at 100%
4pojRCSB PDB    PDBbind13aa, >4POJ:B|PDBID|CHAIN|... at 100%
4pp3RCSB PDB    PDBbind13aa, >4PP3:B|PDBID|CHAIN|... at 100%
4pp5RCSB PDB    PDBbind13aa, >4PP5:B|PDBID|CHAIN|... at 100%
4rmeRCSB PDB    PDBbind13aa, >4RME:B|PDBID|CHAIN|... at 100%
4wlbRCSB PDB    PDBbind265aa, >4WLB:B|PDBID|CHAIN|... at 96%
4xt9RCSB PDB    PDBbind243aa, >4XT9:A|PDBID|CHAIN|... at 100%
4ymqRCSB PDB    PDBbind280aa, >4YMQ:A|PDBID|CHAIN|... at 93%
4zjrRCSB PDB    PDBbind225aa, >4ZJR:D|PDBID|CHAIN|... at 99%
4zjwRCSB PDB    PDBbind225aa, >4ZJW:B|PDBID|CHAIN|... at 99%
4zomRCSB PDB    PDBbind225aa, >4ZOM:D|PDBID|CHAIN|... at 99%
4zshRCSB PDB    PDBbind13aa, >4ZSH:B|PDBID|CHAIN|... at 100%
5aphRCSB PDB    PDBbind12aa, >5APH:C|PDBID|CHAIN|... at 100%
5apjRCSB PDB    PDBbind12aa, >5APJ:C|PDBID|CHAIN|... at 100%
5c4oRCSB PDB    PDBbind241aa, >5C4O:A|PDBID|CHAIN|... at 99%
5c4sRCSB PDB    PDBbind241aa, >5C4S:A|PDBID|CHAIN|... at 99%
5c4tRCSB PDB    PDBbind241aa, >5C4T:A|PDBID|CHAIN|... at 99%
5c4uRCSB PDB    PDBbind241aa, >5C4U:A|PDBID|CHAIN|... at 99%
5ethRCSB PDB    PDBbind223aa, >5ETH:B|PDBID|CHAIN|... at 99%
5g42RCSB PDB    PDBbind266aa, >5G42:A|PDBID|CHAIN|... at 100%
5g43RCSB PDB    PDBbind12aa, >5G43:C|PDBID|CHAIN|... at 100%
5g45RCSB PDB    PDBbind266aa, >5G45:A|PDBID|CHAIN|... at 100%
5g46RCSB PDB    PDBbind266aa, >5G46:A|PDBID|CHAIN|... at 100%
5ni5RCSB PDB    PDBbind15aa, >5NI5:C|PDBID|CHAIN|... at 100%
5ni7RCSB PDB    PDBbind15aa, >5NI7:C|PDBID|CHAIN|... at 100%
5ni8RCSB PDB    PDBbind15aa, >5NI8:C|PDBID|CHAIN|... at 100%
5nibRCSB PDB    PDBbind15aa, >5NIB:C|PDBID|CHAIN|... at 100%
5ntkRCSB PDB    PDBbind230aa, >5NTK:B|PDBID|CHAIN|... at 98%
5ntpRCSB PDB    PDBbind238aa, >5NTP:A|PDBID|CHAIN|... at 98%
5ntqRCSB PDB    PDBbind238aa, >5NTQ:B|PDBID|CHAIN|... at 98%
5ufoRCSB PDB    PDBbind258aa, >5UFO:A|PDBID|CHAIN|... at 98%
5ufrRCSB PDB    PDBbind258aa, >5UFR:B|PDBID|CHAIN|... at 98%
5uhiRCSB PDB    PDBbind258aa, >5UHI:B|PDBID|CHAIN|... at 98%
5vb5RCSB PDB    PDBbind280aa, >5VB5:A|PDBID|CHAIN|... at 93%
5vb6RCSB PDB    PDBbind280aa, >5VB6:A|PDBID|CHAIN|... at 93%
5vb7RCSB PDB    PDBbind280aa, >5VB7:A|PDBID|CHAIN|... at 93%
5w4rRCSB PDB    PDBbind217aa, >5W4R:B|PDBID|CHAIN|... at 100%
5w4vRCSB PDB    PDBbind210aa, >5W4V:F|PDBID|CHAIN|... at 99%
5yp5RCSB PDB    PDBbind243aa, >5YP5:A|PDBID|CHAIN|... at 100%
5yp6RCSB PDB    PDBbind245aa, >5YP6:A|PDBID|CHAIN|... at 99%
5za1RCSB PDB    PDBbind234aa, >5ZA1:B|PDBID|CHAIN|... at 98%
6b30RCSB PDB    PDBbind215aa, >6B30:B|PDBID|CHAIN|... at 100%
6b31RCSB PDB    PDBbind228aa, >6B31:B|PDBID|CHAIN|... at 100%
6br2RCSB PDB    PDBbind215aa, >6BR2:B|PDBID|CHAIN|... at 100%
6br3RCSB PDB    PDBbind216aa, >6BR3:B|PDBID|CHAIN|... at 100%
6cn5RCSB PDB    PDBbind262aa, >6CN5:B|PDBID|CHAIN|... at 92%
6cn6RCSB PDB    PDBbind259aa, >6CN6:A|PDBID|CHAIN|... at 93%
6esnRCSB PDB    PDBbind12aa, >6ESN:C|PDBID|CHAIN|... at 100%
6fgqRCSB PDB    PDBbind265aa, >6FGQ:B|PDBID|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 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 8.48      (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: 3
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

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China