Fluorine in PDB 1mqi: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution, PDB code: 1mqi 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)	29.46 / 1.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.913, 91.431, 48.286, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 21.8

The binding sites of Fluorine atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution (pdb code 1mqi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution, PDB code: 1mqi:

Fluorine binding site 1 out of 1 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:9.3 occ:1.00 F5 A:FWD401 0.0 9.3 1.0 C5 A:FWD401 1.3 8.5 1.0 C6 A:FWD401 2.4 8.1 1.0 C4 A:FWD401 2.4 8.8 1.0 O4 A:FWD401 2.8 8.5 1.0 O A:HOH565 3.1 11.1 1.0 CE A:MET196 3.1 10.4 1.0 OG1 A:THR174 3.3 11.8 1.0 CG A:MET196 3.5 9.7 1.0 SD A:MET196 3.5 9.6 1.0 N1 A:FWD401 3.6 6.8 1.0 N3 A:FWD401 3.6 8.5 1.0 OE1 A:GLU13 4.1 15.5 1.0 OE1 A:GLU193 4.1 8.1 1.0 C2 A:FWD401 4.2 8.1 1.0 CB A:MET196 4.2 8.1 1.0 OE2 A:GLU13 4.2 13.7 1.0 CD A:GLU13 4.2 13.1 1.0 CB A:GLU193 4.5 6.7 1.0 OH A:TYR61 4.6 12.7 1.0 CB A:THR174 4.6 11.9 1.0 CD2 A:LEU138 4.7 15.1 1.0 N A:GLU193 4.7 6.5 1.0 CD A:GLU193 4.7 7.8 1.0 CG A:GLU193 4.7 6.9 1.0 CG2 A:THR174 4.8 12.5 1.0 C7 A:FWD401 4.8 8.0 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