Fluorine in PDB 5l1e: Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022

The structure of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022, PDB code: 5l1e was solved by M.V.Yelshanskaya, A.K.Singh, J.M.Sampson, A.I.Sobolevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.02 / 4.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.677, 109.858, 602.462, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 29.2

The structure of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 (pdb code 5l1e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022, PDB code: 5l1e:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.1 occ:1.00 FAF A:6ZQ902 0.0 0.1 1.0 CAG A:6ZQ902 1.4 0.7 1.0 CAH A:6ZQ902 2.4 0.5 1.0 CAO A:6ZQ902 2.4 0.0 1.0 CD1 A:PHE517 3.1 0.7 1.0 CG2 D:ILE611 3.1 0.3 1.0 CE1 A:PHE517 3.3 1.0 1.0 OH A:TYR616 3.6 0.8 1.0 CAP A:6ZQ902 3.7 0.5 1.0 CAI A:6ZQ902 3.7 0.3 1.0 CG2 A:VAL795 3.8 1.0 1.0 OG D:SER615 4.2 0.8 1.0 CAQ A:6ZQ902 4.2 0.4 1.0 CG A:PHE517 4.3 0.6 1.0 O A:PHE517 4.5 0.0 1.0 O A:ASN791 4.6 0.4 1.0 CZ A:PHE517 4.6 0.4 1.0 CB D:ILE611 4.6 0.9 1.0 CZ A:TYR616 4.9 0.8 1.0 CAJ A:6ZQ902 4.9 0.9 1.0 CB A:PHE517 4.9 0.4 1.0

Fluorine binding site 2 out of 4 in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:0.2 occ:1.00 FAF B:6ZQ902 0.0 0.2 1.0 CAG B:6ZQ902 1.4 0.3 1.0 CAH B:6ZQ902 2.4 0.5 1.0 CAO B:6ZQ902 2.4 0.6 1.0 OH B:TYR616 2.6 0.7 1.0 CE1 B:PHE517 3.0 0.8 1.0 CG2 A:ILE611 3.1 0.6 1.0 CD1 B:PHE517 3.4 0.0 1.0 CAP B:6ZQ902 3.7 0.2 1.0 CAI B:6ZQ902 3.7 0.5 1.0 CZ B:PHE517 3.8 0.2 1.0 CZ B:TYR616 3.8 0.5 1.0 CAQ B:6ZQ902 4.2 1.0 1.0 O B:PHE517 4.2 0.3 1.0 OG A:SER615 4.3 0.9 1.0 CE1 B:TYR616 4.3 0.8 1.0 CG B:PHE517 4.4 0.9 1.0 CB A:ILE611 4.5 0.1 1.0 CD1 A:ILE611 4.5 0.2 1.0 CE2 B:PHE517 4.7 0.1 1.0 CG1 A:ILE611 4.7 1.0 1.0 CAJ B:6ZQ902 4.9 0.4 1.0 CE2 B:TYR616 4.9 0.5 1.0 CD2 B:PHE517 4.9 0.9 1.0

Fluorine binding site 3 out of 4 in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 within 5.0Å range: probe atom residue distance (Å) B Occ C:F902 b:0.5 occ:1.00 FAF C:6ZQ902 0.0 0.5 1.0 CAG C:6ZQ902 1.4 0.5 1.0 CAO C:6ZQ902 2.4 0.4 1.0 CAH C:6ZQ902 2.4 0.6 1.0 CE1 C:PHE517 3.0 0.2 1.0 CG2 B:ILE611 3.0 0.9 1.0 OH C:TYR616 3.1 0.7 1.0 CD1 B:ILE611 3.2 0.4 1.0 CG1 B:ILE611 3.4 0.7 1.0 CZ C:PHE517 3.5 0.3 1.0 CAP C:6ZQ902 3.6 0.4 1.0 CD1 C:PHE517 3.7 0.6 1.0 CAI C:6ZQ902 3.7 0.5 1.0 CB B:ILE611 3.8 0.8 1.0 CZ C:TYR616 4.0 0.9 1.0 CAQ C:6ZQ902 4.1 0.9 1.0 O C:PHE517 4.2 0.1 1.0 CE2 C:TYR616 4.4 0.5 1.0 CE2 C:PHE517 4.5 0.2 1.0 CG C:PHE517 4.6 0.5 1.0 CA B:ILE611 4.8 0.8 1.0 CH2 C:TRP526 4.8 0.6 1.0 CAJ C:6ZQ902 4.9 0.3 1.0 CE1 C:TYR616 4.9 0.6 1.0 CD2 C:PHE517 4.9 0.3 1.0

Fluorine binding site 4 out of 4 in the Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Ampa Subtype Ionotropic Glutamate Receptor GLUA2 in Complex with Noncompetitive Inhibitor CP465022 within 5.0Å range: probe atom residue distance (Å) B Occ D:F902 b:0.1 occ:1.00 FAF D:6ZQ902 0.0 0.1 1.0 CAG D:6ZQ902 1.4 0.2 1.0 CAH D:6ZQ902 2.4 0.1 1.0 CAO D:6ZQ902 2.4 1.0 1.0 CE1 D:PHE517 3.0 0.6 1.0 CG2 C:ILE611 3.1 0.3 1.0 CD1 D:PHE517 3.3 0.4 1.0 OH D:TYR616 3.3 0.5 1.0 CAP D:6ZQ902 3.7 0.8 1.0 CAI D:6ZQ902 3.7 0.9 1.0 CZ D:PHE517 3.8 0.0 1.0 CAQ D:6ZQ902 4.2 0.9 1.0 OG C:SER615 4.2 0.8 1.0 CG D:PHE517 4.2 0.9 1.0 CB C:ILE611 4.4 0.6 1.0 CZ D:TYR616 4.6 0.2 1.0 CE2 D:PHE517 4.7 0.4 1.0 CG1 C:ILE611 4.7 0.7 1.0 O D:PHE517 4.8 0.6 1.0 CD1 C:ILE611 4.8 0.7 1.0 CD2 D:PHE517 4.8 0.7 1.0 CAJ D:6ZQ902 4.9 0.7 1.0 ND2 D:ASN791 4.9 0.3 1.0 O D:ASN791 4.9 0.9 1.0

M.V.Yelshanskaya, A.K.Singh, J.M.Sampson, C.Narangoda, M.Kurnikova, A.I.Sobolevsky. Structural Bases of Noncompetitive Inhibition of Ampa-Subtype Ionotropic Glutamate Receptors By Antiepileptic Drugs. Neuron V. 91 1305 2016.
ISSN: ISSN 0896-6273
PubMed: 27618672
DOI: 10.1016/J.NEURON.2016.08.012