Bromine in PDB 1mqh: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution, PDB code: 1mqh was solved by R.Jin, T.G.Banke, M.L.Mayer, S.F.Traynelis, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.60 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.786, 91.851, 48.377, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.1

The binding sites of Bromine atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution (pdb code 1mqh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution, PDB code: 1mqh:

Bromine binding site 1 out of 1 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine at 1.8 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:22.1 occ:1.00 BR5 A:BWD301 0.0 22.1 1.0 C5 A:BWD301 1.9 18.9 1.0 C6 A:BWD301 2.8 16.8 1.0 C4 A:BWD301 2.9 17.2 1.0 O4 A:BWD301 3.2 18.8 1.0 O A:HOH365 3.6 20.4 1.0 CE A:MET196 3.7 16.7 1.0 OG1 A:THR174 3.7 17.8 1.0 CB A:MET196 3.8 14.7 1.0 CG A:MET196 3.9 14.5 1.0 OE1 A:GLU193 4.1 14.5 1.0 N1 A:BWD301 4.1 14.3 1.0 N3 A:BWD301 4.2 16.9 1.0 CD A:GLU13 4.3 21.5 1.0 OE2 A:GLU13 4.3 21.1 1.0 O A:HOH309 4.4 20.1 1.0 OE1 A:GLU13 4.5 21.5 1.0 CB A:GLU193 4.6 14.9 1.0 OH A:TYR220 4.6 11.6 1.0 SD A:MET196 4.7 17.4 1.0 CG A:GLU13 4.7 18.9 1.0 C2 A:BWD301 4.7 16.5 1.0 OH A:TYR61 4.8 16.9 1.0 CG A:GLU193 4.8 14.3 1.0 CD A:GLU193 4.8 15.0 1.0 N A:GLU193 4.9 13.0 1.0 CB A:THR174 4.9 17.9 1.0 CG2 A:THR174 4.9 17.4 1.0

R.Jin, T.G.Banke, M.L.Mayer, S.F.Traynelis, E.Gouaux. Structural Basis For Partial Agonist Action at Ionotropic Glutamate Receptors Nat.Neurosci. V. 6 803 2003.
ISSN: ISSN 1097-6256
PubMed: 12872125
DOI: 10.1038/NN1091