Brand  (β version)

PDB ID: 2XXI

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
GLU Glutamic acid PoSSuM
JAC 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-C]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 2XXI   PDBj   RCSB PDB   PDBe
Header : TRANSPORT PROTEIN
Title : Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- C(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution.
Release Data : 2011-04-06
Compound :
mol_id molecule chains synonym
1 GLUTAMATE RECEPTOR 2 A,B,C GLUR-2, AMPA-SELECTIVE GLUTAMATE RECEPTOR 2, GLUR-B, GLUR-K2, GLUTAMATE RECEPTOR IONOTROPIC\,AMPA 2, GLUA2
fragment: LIGAND BINDING DOMAIN, RESIDUES 413-527,653-796
mutation: YES
other_details: GLUA2FLOPS1-GLYTHR-S2
Source :
mol_id organism_scientific organism_common expression_system
1 RATTUS NORVEGICUS  (taxid:10116) NORWAY RAT ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
Authors : Ward, S.E., Harries, M., Aldegheri, L., Austin, N.E., Ballantine, S., Ballini, E., Bradley, D.M., Bax, B.D., Clarke, B.P., Harris, A.J., Harrison, S.A., Melarange, R.A., Mookherjee, C., Mosley, J., DalNegro, G., Oliosi, B., Smith, K.J., Thewlis, K.M., Woollard, P.M., Yusaf, S.P.
Keywords : TRANSPORT PROTEIN, AMPA RECEPTOR LIGAND-BINDING CORE, ION CHANNEL
Exp. method : X-RAY DIFFRACTION ( 1.60 Å )
Citation :

Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.

Ward, S.E.,Harries, M.,Aldegheri, L.  et al.
(2011)  J.Med.Chem.  54 : 78

PubMed: 21128618
DOI: 10.1021/JM100679E

Reaction

Chain : A, B, C
UniProt : P19491 (GRIA2_RAT)
Reaction : -