Related entries of code: 1s9v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oziRCSB PDB    PDBbind13aa, >4ozi_J... 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 ID1s9v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHLA-DQ2
Ligand Namedeamidated gliadin peptide
EC.Number E.C.-.-.-.-
Resolution 2.22(Å)
Affinity (Kd/Ki/IC50)IC50=100uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceProc. Natl. Acad. Sci. USA 96 (2004) 101, pp. 4175-9
Ligand Properties
Formula C51H75N12O15
Molecular Weight 1,096.210
Exact Mass 1,095.550
No. of atoms 153
No. of bonds 157
Polar Surface Area 401.17
LOGP Value -2.51      (Computed with XLOGP3)
-1.34      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
ASDInformation of known allosteric effects of PDB entries

Display Options: Structure:  

Goto PDB code:

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