Fluorine in PDB 2al5: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam, PDB code: 2al5 was solved by R.Jin, S.Clark, A.M.Weeks, J.T.Dudman, E.Gouaux, K.M.Partin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.26 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.056, 64.126, 107.949, 90.00, 90.07, 90.00
R / Rfree (%)	19.7 / 22

The binding sites of Fluorine atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam (pdb code 2al5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam, PDB code: 2al5:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam


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 and Aniracetam within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:11.7 occ:1.00 F5 A:FWD901 0.0 11.7 1.0 C5 A:FWD901 1.3 10.7 1.0 C6 A:FWD901 2.4 10.7 1.0 C4 A:FWD901 2.4 13.8 1.0 O4 A:FWD901 2.8 12.5 1.0 O A:HOH905 3.1 13.8 1.0 CE A:MET196 3.2 10.7 1.0 OG1 A:THR174 3.3 14.4 1.0 CG A:MET196 3.4 11.1 1.0 SD A:MET196 3.4 12.3 1.0 N1 A:FWD901 3.6 9.7 1.0 N3 A:FWD901 3.6 10.6 1.0 OE1 A:GLU193 4.1 10.9 1.0 CB A:MET196 4.2 11.4 1.0 OE2 A:GLU13 4.2 14.5 1.0 C2 A:FWD901 4.2 10.6 1.0 CD A:GLU13 4.3 14.2 1.0 OE1 A:GLU13 4.3 18.1 1.0 CB A:GLU193 4.5 10.0 1.0 CG A:GLU193 4.6 10.9 1.0 CB A:THR174 4.6 15.4 1.0 N A:GLU193 4.6 9.5 1.0 CD A:GLU193 4.6 11.7 1.0 OH A:TYR61 4.7 14.1 1.0 CD2 A:LEU138 4.7 15.8 1.0 CG2 A:THR174 4.8 16.6 1.0 C7 A:FWD901 4.8 9.1 1.0 CB A:LEU192 4.9 10.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine and Aniracetam within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:11.5 occ:1.00 F5 B:FWD902 0.0 11.5 1.0 C5 B:FWD902 1.3 11.2 1.0 C6 B:FWD902 2.4 10.5 1.0 C4 B:FWD902 2.4 12.8 1.0 O4 B:FWD902 2.8 13.4 1.0 O B:HOH909 3.1 13.5 1.0 CE B:MET196 3.2 11.3 1.0 OG1 B:THR174 3.3 13.2 1.0 CG B:MET196 3.4 10.2 1.0 SD B:MET196 3.4 12.2 1.0 N1 B:FWD902 3.6 9.6 1.0 N3 B:FWD902 3.6 10.9 1.0 OE1 B:GLU193 4.0 10.7 1.0 OE2 B:GLU13 4.1 14.6 1.0 CB B:MET196 4.2 10.6 1.0 C2 B:FWD902 4.2 11.0 1.0 CD B:GLU13 4.3 14.7 1.0 OE1 B:GLU13 4.3 17.5 1.0 CB B:GLU193 4.5 11.4 1.0 CG B:GLU193 4.6 11.4 1.0 CB B:THR174 4.6 15.1 1.0 CD B:GLU193 4.6 10.7 1.0 N B:GLU193 4.6 9.7 1.0 OH B:TYR61 4.6 14.3 1.0 CD2 B:LEU138 4.7 15.7 1.0 C7 B:FWD902 4.8 9.3 1.0 CG2 B:THR174 4.8 15.4 1.0 CB B:LEU192 5.0 11.1 1.0

R.Jin, S.Clark, A.M.Weeks, J.T.Dudman, E.Gouaux, K.M.Partin. Mechanism of Positive Allosteric Modulators Acting on Ampa Receptors. J.Neurosci. V. 25 9027 2005.
ISSN: ISSN 0270-6474
PubMed: 16192394
DOI: 10.1523/JNEUROSCI.2567-05.2005