Fluorine in PDB 6fqk: GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution

The structure of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution, PDB code: 6fqk was solved by I.D.Coombs, D.Soto, M.G.Gold, M.F.Farrant, S.G.Cull-Candy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.35 / 1.98
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	106.696, 106.696, 100.394, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 25.6

The binding sites of Fluorine atom in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution (pdb code 6fqk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution, PDB code: 6fqk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:59.0 occ:1.00 FAF A:ZK1301 0.0 59.0 1.0 CAZ A:ZK1301 1.4 43.7 1.0 FAG A:ZK1301 2.3 35.0 1.0 FAH A:ZK1301 2.3 40.0 1.0 CAS A:ZK1301 2.5 33.7 1.0 NAX A:ZK1301 2.8 45.9 1.0 CAR A:ZK1301 3.0 36.5 1.0 CAM A:ZK1301 3.5 45.8 1.0 CAJ A:ZK1301 3.6 29.6 1.0 OH A:TYR220 3.6 36.7 1.0 CE A:MET196 3.8 56.7 1.0 CAN A:ZK1301 3.8 52.5 1.0 CAK A:ZK1301 4.0 50.5 1.0 CB A:MET196 4.1 39.0 1.0 CG A:GLU193 4.1 60.7 1.0 CAI A:ZK1301 4.4 21.2 1.0 O A:HOH473 4.4 44.5 1.0 CAL A:ZK1301 4.4 54.5 1.0 CG A:MET196 4.6 49.9 1.0 CB A:GLU193 4.6 43.1 1.0 OG1 A:THR195 4.7 54.9 1.0 CAV A:ZK1301 4.8 22.7 1.0 CZ A:TYR220 4.8 28.3 1.0 OAQ A:ZK1301 4.9 54.7 1.0 O A:HOH509 5.0 39.5 1.0 CE2 A:TYR16 5.0 34.0 1.0

Fluorine binding site 2 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:35.0 occ:1.00 FAG A:ZK1301 0.0 35.0 1.0 CAZ A:ZK1301 1.3 43.7 1.0 FAH A:ZK1301 2.1 40.0 1.0 FAF A:ZK1301 2.3 59.0 1.0 CAS A:ZK1301 2.4 33.7 1.0 NAX A:ZK1301 2.9 45.9 1.0 CG A:GLU13 3.0 45.7 1.0 CAR A:ZK1301 3.1 36.5 1.0 CAN A:ZK1301 3.1 52.5 1.0 CD A:GLU13 3.2 59.5 1.0 OE1 A:GLU13 3.2 70.7 1.0 OH A:TYR61 3.3 52.3 1.0 CAJ A:ZK1301 3.4 29.6 1.0 CE A:MET196 3.8 56.7 1.0 CAL A:ZK1301 3.9 54.5 1.0 OE2 A:GLU13 4.1 68.0 1.0 CB A:GLU13 4.2 32.2 1.0 CAM A:ZK1301 4.3 45.8 1.0 CZ A:TYR61 4.4 41.9 1.0 CAI A:ZK1301 4.4 21.2 1.0 CE2 A:TYR16 4.6 34.0 1.0 CAV A:ZK1301 4.6 22.7 1.0 CG A:PRO89 4.7 19.5 1.0 CAK A:ZK1301 4.7 50.5 1.0 OAQ A:ZK1301 4.9 54.7 1.0 CD2 A:TYR16 4.9 33.6 1.0 OH A:TYR220 4.9 36.7 1.0 CAW A:ZK1301 5.0 33.7 1.0

Fluorine binding site 3 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:40.0 occ:1.00 FAH A:ZK1301 0.0 40.0 1.0 CAZ A:ZK1301 1.3 43.7 1.0 FAG A:ZK1301 2.1 35.0 1.0 FAF A:ZK1301 2.3 59.0 1.0 CAS A:ZK1301 2.4 33.7 1.0 CAJ A:ZK1301 2.8 29.6 1.0 OH A:TYR220 3.2 36.7 1.0 CE2 A:TYR16 3.5 34.0 1.0 CB A:PRO89 3.6 23.1 1.0 CG A:PRO89 3.6 19.5 1.0 CAR A:ZK1301 3.7 36.5 1.0 CZ A:TYR220 3.8 28.3 1.0 OH A:TYR61 4.0 52.3 1.0 NAX A:ZK1301 4.1 45.9 1.0 CZ A:TYR16 4.1 25.1 1.0 CE2 A:TYR220 4.2 30.0 1.0 CAV A:ZK1301 4.2 22.7 1.0 CD2 A:TYR16 4.2 33.6 1.0 OH A:TYR16 4.3 31.4 1.0 CG A:GLU13 4.4 45.7 1.0 O A:PRO89 4.6 34.6 1.0 CE1 A:TYR220 4.7 32.1 1.0 O A:HOH473 4.8 44.5 1.0 CE A:MET196 4.8 56.7 1.0 CAN A:ZK1301 4.8 52.5 1.0 CZ A:TYR61 4.9 41.9 1.0 CAI A:ZK1301 4.9 21.2 1.0 CA A:PRO89 5.0 27.9 1.0 OG1 A:THR195 5.0 54.9 1.0

Fluorine binding site 4 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:56.4 occ:1.00 FAF B:ZK1301 0.0 56.4 1.0 CAZ B:ZK1301 1.4 52.8 1.0 FAH B:ZK1301 2.2 54.3 1.0 FAG B:ZK1301 2.2 58.9 1.0 CAS B:ZK1301 2.5 33.7 1.0 CAJ B:ZK1301 2.7 35.1 1.0 OH B:TYR220 3.2 50.2 1.0 CE2 B:TYR16 3.5 47.5 1.0 CB B:PRO89 3.6 37.0 1.0 CG B:PRO89 3.7 35.5 1.0 OH B:TYR61 3.7 53.5 1.0 CAR B:ZK1301 3.8 43.5 1.0 CZ B:TYR220 3.8 35.8 1.0 CZ B:TYR16 4.1 41.5 1.0 CG B:GLU13 4.1 60.8 1.0 CAV B:ZK1301 4.1 33.1 1.0 OH B:TYR16 4.1 54.2 1.0 CE2 B:TYR220 4.2 35.1 1.0 CD2 B:TYR16 4.2 47.5 1.0 OG1 B:THR195 4.5 54.0 1.0 O B:PRO89 4.5 29.0 1.0 NAX B:ZK1301 4.6 55.4 1.0 CD B:GLU13 4.6 56.3 1.0 OE2 B:GLU13 4.7 54.3 1.0 CE1 B:TYR220 4.7 33.8 1.0 CZ B:TYR61 4.7 50.9 1.0 CE B:MET196 4.8 43.3 1.0 CAN B:ZK1301 4.8 57.5 1.0 NAP B:ZK1301 4.9 27.3 1.0 CAM B:ZK1301 4.9 56.5 1.0 CAI B:ZK1301 4.9 40.0 1.0 CA B:PRO89 5.0 37.5 1.0 CAL B:ZK1301 5.0 59.3 1.0

Fluorine binding site 5 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:58.9 occ:1.00 FAG B:ZK1301 0.0 58.9 1.0 CAZ B:ZK1301 1.3 52.8 1.0 FAH B:ZK1301 2.2 54.3 1.0 FAF B:ZK1301 2.2 56.4 1.0 CAS B:ZK1301 2.4 33.7 1.0 CAM B:ZK1301 3.0 56.5 1.0 CAR B:ZK1301 3.1 43.5 1.0 NAX B:ZK1301 3.2 55.4 1.0 OH B:TYR220 3.4 50.2 1.0 CAJ B:ZK1301 3.4 35.1 1.0 CAL B:ZK1301 3.6 59.3 1.0 CAN B:ZK1301 3.7 57.5 1.0 CB B:MET196 3.9 35.9 1.0 OG1 B:THR195 3.9 54.0 1.0 CAK B:ZK1301 4.0 63.4 1.0 CE B:MET196 4.1 43.3 1.0 CB B:GLU193 4.1 38.8 1.0 OAQ B:ZK1301 4.2 69.8 1.0 CAI B:ZK1301 4.4 40.0 1.0 CG B:GLU193 4.5 54.2 1.0 CG B:MET196 4.6 47.0 1.0 CZ B:TYR220 4.6 35.8 1.0 CD B:GLU193 4.6 63.4 1.0 N B:MET196 4.6 38.2 1.0 CAV B:ZK1301 4.6 33.1 1.0 CA B:MET196 4.8 41.7 1.0 OE1 B:GLU193 4.8 69.7 1.0 CE2 B:TYR16 4.9 47.5 1.0 OE2 B:GLU193 5.0 65.5 1.0

Fluorine binding site 6 out of 6 in the GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of GLUA2(Flop) S729C Ligand Binding Core Dimer Bound to ZK200775 at 1.98 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:54.3 occ:1.00 FAH B:ZK1301 0.0 54.3 1.0 CAZ B:ZK1301 1.3 52.8 1.0 FAF B:ZK1301 2.2 56.4 1.0 FAG B:ZK1301 2.2 58.9 1.0 CAS B:ZK1301 2.4 33.7 1.0 CAN B:ZK1301 3.0 57.5 1.0 CD B:GLU13 3.0 56.3 1.0 CAL B:ZK1301 3.1 59.3 1.0 OE2 B:GLU13 3.1 54.3 1.0 CG B:GLU13 3.1 60.8 1.0 CAR B:ZK1301 3.1 43.5 1.0 NAX B:ZK1301 3.3 55.4 1.0 CAJ B:ZK1301 3.4 35.1 1.0 CE B:MET196 3.5 43.3 1.0 OH B:TYR61 3.5 53.5 1.0 OE1 B:GLU13 3.6 53.4 1.0 CAM B:ZK1301 3.9 56.5 1.0 OAQ B:ZK1301 4.3 69.8 1.0 CAI B:ZK1301 4.5 40.0 1.0 CB B:GLU13 4.5 58.8 1.0 CE2 B:TYR16 4.6 47.5 1.0 CZ B:TYR61 4.6 50.9 1.0 CAV B:ZK1301 4.7 33.1 1.0 CAK B:ZK1301 4.7 63.4 1.0 CB B:MET196 4.9 35.9 1.0 OH B:TYR220 4.9 50.2 1.0 CE2 B:TYR61 5.0 42.4 1.0

I.D.Coombs, D.Soto, T.P.Mcgee, M.G.Gold, M.Farrant, S.G.Cull-Candy. Homomeric GLUA2(R) Ampa Receptors Can Conduct When Desensitized. Nat Commun V. 10 4312 2019.
ISSN: ESSN 2041-1723
PubMed: 31541113
DOI: 10.1038/S41467-019-12280-9