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
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PubchemComprehensive collection of chemical and biological data
ASDInformation of known allosteric effects of PDB entries

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