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: 3fur
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u3rRCSB PDB    PDBbind13aa, >1U3R_2|Chains... *
1u3sRCSB PDB    PDBbind13aa, >1U3S_2|Chains... at 100%
1x76RCSB PDB    PDBbind13aa, >1X76_2|Chains... at 100%
1x78RCSB PDB    PDBbind13aa, >1X78_2|Chains... at 100%
1x7bRCSB PDB    PDBbind13aa, >1X7B_2|Chains... at 100%
1yy4RCSB PDB    PDBbind13aa, >1YY4_2|Chains... at 100%
1yyeRCSB PDB    PDBbind13aa, >1YYE_2|Chains... at 100%
1zafRCSB PDB    PDBbind13aa, >1ZAF_2|Chains... at 100%
3h0aRCSB PDB    PDBbind12aa, >3H0A_3|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3fur
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameperoxisome proliferator-activated receptor, PPARgamma
Ligand NameZ12
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=10nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Mol.Biol. Vol. 386: pp. 1301-1311
Ligand Properties
Formula C21H12Cl4N2O3S
Molecular Weight 514.209
Exact Mass 511.932
No. of atoms 43
No. of bonds 46
Polar Surface Area 76.67
LOGP Value 6.75      (Computed with XLOGP3)
8.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): P37231  Q15788  
Entrez Gene IDNCBI Entrez Gene ID: 5468  8648  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2022    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com