Browse entries in the PDBbind-CN Database

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: 3gwx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dy6RCSB PDB    PDBbind271aa, >3DY6:B|PDBID|CHAIN|... at 100%
3gz9RCSB PDB    PDBbind269aa, >3GZ9:A|PDBID|CHAIN|... at 99%
3peqRCSB PDB    PDBbind271aa, >3PEQ:B|PDBID|CHAIN|... at 100%
3tkmRCSB PDB    PDBbind275aa, >3TKM:A|PDBID|CHAIN|... *
5xmxRCSB PDB    PDBbind275aa, >5XMX: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 ID3gwx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameperoxisome proliferator activated receptor ppar
Ligand NameEPA
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=4.0uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Mol.Cell v3 pp. 397-403, 1999
Ligand Properties
Formula C20H30O2
Molecular Weight 302.451
Exact Mass 302.225
No. of atoms 52
No. of bonds 51
Polar Surface Area 37.3
LOGP Value 6.49      (Computed with XLOGP3)
5.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): Q03181  
Entrez Gene IDNCBI Entrez Gene ID: 5467  
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:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China