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: 6afh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6af9RCSB PDB    PDBbind189aa, >6AF9:A|PDBID|CHAIN|... *
6afaRCSB PDB    PDBbind189aa, >6AFA:A|PDBID|CHAIN|... at 100%
6afcRCSB PDB    PDBbind189aa, >6AFC:A|PDBID|CHAIN|... at 100%
6afdRCSB PDB    PDBbind189aa, >6AFD:A|PDBID|CHAIN|... at 100%
6afeRCSB PDB    PDBbind189aa, >6AFE:A|PDBID|CHAIN|... at 100%
6affRCSB PDB    PDBbind189aa, >6AFF:A|PDBID|CHAIN|... at 100%
6afgRCSB PDB    PDBbind189aa, >6AFG:A|PDBID|CHAIN|... at 100%
6afiRCSB PDB    PDBbind189aa, >6AFI:A|PDBID|CHAIN|... at 100%
6afjRCSB PDB    PDBbind189aa, >6AFJ:A|PDBID|CHAIN|... at 100%
6aflRCSB PDB    PDBbind189aa, >6AFL:A|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 ID6afh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDJ-1
Ligand Name73F
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=0.75uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 2783-2793
Ligand Properties
Formula C16H15NO2
Molecular Weight 253.296
Exact Mass 253.110
No. of atoms 34
No. of bonds 36
Polar Surface Area 40.54
LOGP Value 2.36      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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): Q99497  
Entrez Gene IDNCBI Entrez Gene ID: 11315  
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