Fluorine in PDB 6fqj: GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution

The structure of GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution, PDB code: 6fqj 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)	81.83 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.010, 144.290, 199.180, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution (pdb code 6fqj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution, PDB code: 6fqj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:35.1 occ:1.00 FAF A:ZK1301 0.0 35.1 1.0 CAZ A:ZK1301 1.4 36.1 1.0 FAG A:ZK1301 2.2 46.2 1.0 FAH A:ZK1301 2.2 44.4 1.0 CAS A:ZK1301 2.5 49.1 1.0 HAJ A:ZK1301 2.5 57.0 1.0 CAJ A:ZK1301 2.9 47.5 1.0 HE2 A:TYR16 3.0 30.2 1.0 HB2 A:PRO89 3.2 47.8 1.0 HG2 A:GLU13 3.2 84.7 1.0 HG3 A:PRO89 3.2 45.0 1.0 CE2 A:TYR16 3.4 25.1 1.0 OH A:TYR220 3.5 33.9 1.0 HG2 A:PRO89 3.5 45.0 1.0 CG A:PRO89 3.6 37.4 1.0 CAR A:ZK1301 3.7 33.8 1.0 HG1 A:THR195 3.7 65.0 1.0 HH A:TYR220 3.7 40.7 1.0 CB A:PRO89 3.7 39.7 1.0 CZ A:TYR16 3.8 23.8 1.0 OH A:TYR16 3.8 22.8 1.0 HB3 A:PRO89 3.9 47.8 1.0 OH A:TYR61 4.0 27.8 1.0 HH A:TYR61 4.1 33.5 1.0 CG A:GLU13 4.1 70.5 1.0 CD2 A:TYR16 4.1 23.2 1.0 CZ A:TYR220 4.1 40.5 1.0 HE3 A:MET196 4.2 71.3 1.0 HG3 A:GLU13 4.2 84.7 1.0 NAX A:ZK1301 4.2 31.8 1.0 HE2 A:TYR220 4.2 34.6 1.0 HD2 A:TYR16 4.2 27.5 1.0 CAV A:ZK1301 4.2 34.6 1.0 HE2 A:MET196 4.3 71.3 1.0 OG1 A:THR195 4.3 54.1 1.0 HANA A:ZK1301 4.4 55.3 1.0 CE2 A:TYR220 4.4 28.8 1.0 HH A:TYR16 4.5 27.0 1.0 CE A:MET196 4.6 59.4 1.0 CD A:GLU13 4.7 62.1 1.0 HE1 A:MET196 4.8 71.3 1.0 O A:PRO89 4.8 21.5 1.0 CE1 A:TYR16 4.8 23.1 1.0 OE2 A:GLU193 4.8 58.0 1.0 CAN A:ZK1301 4.8 46.0 1.0 CAI A:ZK1301 4.9 33.4 1.0 CZ A:TYR61 4.9 37.4 1.0 HNAP A:ZK1301 4.9 34.6 1.0 OE2 A:GLU13 4.9 57.3 1.0 HB3 A:GLU13 5.0 73.2 1.0 CE1 A:TYR220 5.0 34.0 1.0 HB2 A:MET196 5.0 45.7 1.0

Fluorine binding site 2 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:46.2 occ:1.00 FAG A:ZK1301 0.0 46.2 1.0 CAZ A:ZK1301 1.3 36.1 1.0 FAH A:ZK1301 2.1 44.4 1.0 FAF A:ZK1301 2.2 35.1 1.0 CAS A:ZK1301 2.4 49.1 1.0 NAX A:ZK1301 3.0 31.8 1.0 CAR A:ZK1301 3.1 33.8 1.0 HG1 A:THR195 3.1 65.0 1.0 HB2 A:MET196 3.2 45.7 1.0 HH A:TYR220 3.3 40.7 1.0 OH A:TYR220 3.3 33.9 1.0 OG1 A:THR195 3.4 54.1 1.0 HAM A:ZK1301 3.4 46.5 1.0 CAJ A:ZK1301 3.4 47.5 1.0 HE3 A:MET196 3.5 71.3 1.0 HAJ A:ZK1301 3.5 57.0 1.0 HAK A:ZK1301 3.6 43.2 1.0 HE2 A:MET196 3.6 71.3 1.0 CAM A:ZK1301 3.7 38.7 1.0 OE2 A:GLU193 3.7 58.0 1.0 HB3 A:GLU193 3.8 72.9 1.0 HB2 A:GLU193 3.9 72.9 1.0 CE A:MET196 4.0 59.4 1.0 H A:MET196 4.0 64.8 1.0 HANA A:ZK1301 4.1 55.3 1.0 CAN A:ZK1301 4.1 46.0 1.0 HAL A:ZK1301 4.1 64.4 1.0 CAK A:ZK1301 4.1 36.0 1.0 HE2 A:TYR16 4.2 30.2 1.0 CB A:MET196 4.2 38.0 1.0 CD A:GLU193 4.2 75.2 1.0 CB A:GLU193 4.3 60.7 1.0 CAI A:ZK1301 4.4 33.4 1.0 N A:MET196 4.5 54.0 1.0 CZ A:TYR220 4.5 40.5 1.0 HAMA A:ZK1301 4.6 46.5 1.0 CAL A:ZK1301 4.6 53.6 1.0 HB3 A:MET196 4.6 45.7 1.0 HE1 A:MET196 4.6 71.3 1.0 CAV A:ZK1301 4.6 34.6 1.0 OE1 A:GLU193 4.7 71.6 1.0 CB A:THR195 4.7 46.8 1.0 HG2 A:GLU13 4.7 84.7 1.0 HG2 A:MET196 4.7 45.7 1.0 HB A:THR195 4.7 56.2 1.0 OH A:TYR16 4.7 22.8 1.0 CA A:MET196 4.8 38.9 1.0 CG A:GLU193 4.8 86.7 1.0 CE2 A:TYR16 4.8 25.1 1.0 HAKA A:ZK1301 4.9 43.2 1.0 HAN A:ZK1301 4.9 55.3 1.0 HE2 A:TYR220 4.9 34.6 1.0 HA A:MET196 4.9 46.7 1.0 CG A:MET196 4.9 38.1 1.0 HB2 A:PRO89 4.9 47.8 1.0 OAQ A:ZK1301 5.0 52.9 1.0

Fluorine binding site 3 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:44.4 occ:1.00 FAH A:ZK1301 0.0 44.4 1.0 CAZ A:ZK1301 1.3 36.1 1.0 FAG A:ZK1301 2.1 46.2 1.0 FAF A:ZK1301 2.2 35.1 1.0 CAS A:ZK1301 2.4 49.1 1.0 HANA A:ZK1301 2.5 55.3 1.0 HE3 A:MET196 2.6 71.3 1.0 NAX A:ZK1301 2.6 31.8 1.0 CAR A:ZK1301 2.9 33.8 1.0 HG2 A:GLU13 2.9 84.7 1.0 CAN A:ZK1301 2.9 46.0 1.0 HAL A:ZK1301 3.0 64.4 1.0 CD A:GLU13 3.3 62.1 1.0 CG A:GLU13 3.4 70.5 1.0 CE A:MET196 3.4 59.4 1.0 HG3 A:GLU13 3.4 84.7 1.0 CAL A:ZK1301 3.5 53.6 1.0 HE2 A:MET196 3.5 71.3 1.0 CAJ A:ZK1301 3.5 47.5 1.0 OE1 A:GLU13 3.6 51.9 1.0 OE2 A:GLU13 3.7 57.3 1.0 HE1 A:MET196 3.7 71.3 1.0 HH A:TYR61 3.7 33.5 1.0 HAJ A:ZK1301 3.8 57.0 1.0 HAN A:ZK1301 3.8 55.3 1.0 HAK A:ZK1301 3.9 43.2 1.0 CAM A:ZK1301 3.9 38.7 1.0 HE2 A:TYR16 4.0 30.2 1.0 HB2 A:MET196 4.1 45.7 1.0 OH A:TYR61 4.1 27.8 1.0 HALA A:ZK1301 4.1 64.4 1.0 HAM A:ZK1301 4.1 46.5 1.0 CAI A:ZK1301 4.2 33.4 1.0 CAK A:ZK1301 4.3 36.0 1.0 OAQ A:ZK1301 4.5 52.9 1.0 HAMA A:ZK1301 4.6 46.5 1.0 HG2 A:MET196 4.6 45.7 1.0 CE2 A:TYR16 4.7 25.1 1.0 CAV A:ZK1301 4.7 34.6 1.0 HAI A:ZK1301 4.8 40.2 1.0 CB A:GLU13 4.9 60.9 1.0 HG3 A:PRO89 4.9 45.0 1.0 SD A:MET196 4.9 48.9 1.0 CB A:MET196 4.9 38.0 1.0 HD2 A:TYR16 5.0 27.5 1.0 CAW A:ZK1301 5.0 36.8 1.0 O A:HOH434 5.0 47.4 1.0

Fluorine binding site 4 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:45.1 occ:1.00 FAF B:ZK1301 0.0 45.1 1.0 CAZ B:ZK1301 1.4 48.5 1.0 FAH B:ZK1301 2.2 45.0 1.0 FAG B:ZK1301 2.2 57.9 1.0 CAS B:ZK1301 2.5 58.3 1.0 HAJ B:ZK1301 2.5 50.2 1.0 CAJ B:ZK1301 2.8 41.8 1.0 HE2 B:TYR16 3.0 50.4 1.0 HB2 B:PRO89 3.0 31.6 1.0 HG2 B:GLU13 3.1 42.6 1.0 HH B:TYR220 3.2 63.8 1.0 HG3 B:PRO89 3.2 25.8 1.0 OH B:TYR220 3.3 53.1 1.0 CE2 B:TYR16 3.3 42.0 1.0 HG2 B:PRO89 3.4 25.8 1.0 CG B:PRO89 3.5 21.8 1.0 CB B:PRO89 3.6 26.3 1.0 HH B:TYR16 3.6 49.4 1.0 CAR B:ZK1301 3.7 55.0 1.0 HB3 B:PRO89 3.8 31.6 1.0 CZ B:TYR220 3.8 44.1 1.0 CZ B:TYR16 3.9 43.1 1.0 HE3 B:MET196 3.9 73.3 1.0 CD2 B:TYR16 4.0 41.0 1.0 OH B:TYR61 4.0 24.2 1.0 OH B:TYR16 4.0 41.1 1.0 CG B:GLU13 4.0 35.5 1.0 HD2 B:TYR16 4.1 49.2 1.0 HG1 B:THR195 4.1 89.1 1.0 HE2 B:TYR220 4.1 66.2 1.0 HH B:TYR61 4.1 29.1 1.0 HG3 B:GLU13 4.2 42.6 1.0 NAX B:ZK1301 4.2 65.7 1.0 CE2 B:TYR220 4.2 55.1 1.0 CAV B:ZK1301 4.2 39.2 1.0 HE2 B:MET196 4.2 73.3 1.0 HANA B:ZK1301 4.3 74.5 1.0 CE B:MET196 4.4 61.1 1.0 HE1 B:MET196 4.5 73.3 1.0 O B:PRO89 4.5 20.3 1.0 CE1 B:TYR220 4.6 26.7 1.0 OG1 B:THR195 4.7 74.2 1.0 CD B:GLU13 4.7 43.6 1.0 HE1 B:TYR220 4.8 32.1 1.0 HB3 B:GLU13 4.8 44.3 1.0 HNAP B:ZK1301 4.8 44.6 1.0 CAN B:ZK1301 4.8 62.1 1.0 CE1 B:TYR16 4.9 38.9 1.0 CZ B:TYR61 4.9 30.1 1.0 CAI B:ZK1301 4.9 54.0 1.0 OE2 B:GLU13 4.9 42.7 1.0 CA B:PRO89 4.9 36.1 1.0 CG B:TYR16 4.9 32.3 1.0

Fluorine binding site 5 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:57.9 occ:1.00 FAG B:ZK1301 0.0 57.9 1.0 CAZ B:ZK1301 1.3 48.5 1.0 FAH B:ZK1301 2.2 45.0 1.0 FAF B:ZK1301 2.2 45.1 1.0 CAS B:ZK1301 2.4 58.3 1.0 HH B:TYR220 2.7 63.8 1.0 OH B:TYR220 2.9 53.1 1.0 NAX B:ZK1301 3.1 65.7 1.0 CAR B:ZK1301 3.1 55.0 1.0 HE3 B:MET196 3.1 73.3 1.0 HG1 B:THR195 3.4 89.1 1.0 HE2 B:MET196 3.4 73.3 1.0 HAMA B:ZK1301 3.4 72.2 1.0 CAJ B:ZK1301 3.4 41.8 1.0 HB2 B:MET196 3.5 67.6 1.0 HAJ B:ZK1301 3.5 50.2 1.0 OG1 B:THR195 3.7 74.2 1.0 CE B:MET196 3.7 61.1 1.0 CAM B:ZK1301 3.7 60.1 1.0 HAKA B:ZK1301 3.7 99.1 1.0 HB2 B:GLU193 3.8 88.7 1.0 HB3 B:GLU193 3.9 88.7 1.0 HG2 B:GLU193 4.0 0.1 1.0 HE2 B:TYR16 4.1 50.4 1.0 HANA B:ZK1301 4.1 74.5 1.0 CAN B:ZK1301 4.1 62.1 1.0 CZ B:TYR220 4.1 44.1 1.0 HH B:TYR16 4.2 49.4 1.0 CB B:GLU193 4.2 73.8 1.0 HE1 B:MET196 4.3 73.3 1.0 CAK B:ZK1301 4.3 82.5 1.0 CB B:MET196 4.4 56.3 1.0 CG B:GLU193 4.4 0.8 1.0 CAI B:ZK1301 4.4 54.0 1.0 H B:MET196 4.4 64.3 1.0 HAL B:ZK1301 4.4 91.8 1.0 HG2 B:MET196 4.5 68.0 1.0 CD B:GLU193 4.5 0.5 1.0 HAM B:ZK1301 4.6 72.2 1.0 HG2 B:GLU13 4.6 42.6 1.0 CAV B:ZK1301 4.6 39.2 1.0 HE2 B:TYR220 4.6 66.2 1.0 OE1 B:GLU193 4.7 0.6 1.0 CE2 B:TYR16 4.7 42.0 1.0 CAL B:ZK1301 4.8 76.5 1.0 HB2 B:PRO89 4.8 31.6 1.0 OH B:TYR16 4.8 41.1 1.0 CE2 B:TYR220 4.8 55.1 1.0 CG B:MET196 4.8 56.6 1.0 N B:MET196 4.9 53.5 1.0 OE2 B:GLU193 4.9 0.2 1.0 HB3 B:MET196 4.9 67.6 1.0 HAN B:ZK1301 4.9 74.5 1.0 HAK B:ZK1301 4.9 99.1 1.0 HE1 B:TYR220 5.0 32.1 1.0

Fluorine binding site 6 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 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) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:45.0 occ:1.00 FAH B:ZK1301 0.0 45.0 1.0 CAZ B:ZK1301 1.3 48.5 1.0 FAG B:ZK1301 2.2 57.9 1.0 FAF B:ZK1301 2.2 45.1 1.0 CAS B:ZK1301 2.3 58.3 1.0 HANA B:ZK1301 2.4 74.5 1.0 NAX B:ZK1301 2.5 65.7 1.0 HE3 B:MET196 2.6 73.3 1.0 HG2 B:GLU13 2.8 42.6 1.0 CAR B:ZK1301 2.8 55.0 1.0 CAN B:ZK1301 2.8 62.1 1.0 HAL B:ZK1301 3.2 91.8 1.0 CG B:GLU13 3.3 35.5 1.0 CD B:GLU13 3.4 43.6 1.0 HG3 B:GLU13 3.4 42.6 1.0 CAJ B:ZK1301 3.5 41.8 1.0 CE B:MET196 3.5 61.1 1.0 CAL B:ZK1301 3.6 76.5 1.0 HH B:TYR61 3.6 29.1 1.0 OE2 B:GLU13 3.7 42.7 1.0 HAN B:ZK1301 3.7 74.5 1.0 HE2 B:MET196 3.7 73.3 1.0 HAJ B:ZK1301 3.7 50.2 1.0 HE1 B:MET196 3.7 73.3 1.0 CAM B:ZK1301 3.8 60.1 1.0 HAKA B:ZK1301 3.8 99.1 1.0 OE1 B:GLU13 3.9 41.7 1.0 OH B:TYR61 4.0 24.2 1.0 HAMA B:ZK1301 4.0 72.2 1.0 HE2 B:TYR16 4.0 50.4 1.0 CAI B:ZK1301 4.2 54.0 1.0 CAK B:ZK1301 4.2 82.5 1.0 HALA B:ZK1301 4.2 91.8 1.0 OAQ B:ZK1301 4.5 90.9 1.0 HAM B:ZK1301 4.5 72.2 1.0 HB2 B:MET196 4.5 67.6 1.0 HG2 B:MET196 4.6 68.0 1.0 HH B:TYR220 4.6 63.8 1.0 CAV B:ZK1301 4.6 39.2 1.0 CE2 B:TYR16 4.7 42.0 1.0 CB B:GLU13 4.7 36.9 1.0 OH B:TYR220 4.7 53.1 1.0 HAI B:ZK1301 4.7 64.9 1.0 HG3 B:PRO89 4.7 25.8 1.0 HD2 B:TYR16 4.8 49.2 1.0 HG2 B:PRO89 4.9 25.8 1.0 SD B:MET196 4.9 61.9 1.0 HB3 B:GLU13 4.9 44.3 1.0 CAW B:ZK1301 4.9 43.7 1.0 CZ B:TYR61 5.0 30.1 1.0

Fluorine binding site 7 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:35.0 occ:1.00 FAF C:ZK1301 0.0 35.0 1.0 CAZ C:ZK1301 1.4 43.9 1.0 FAH C:ZK1301 2.2 58.3 1.0 FAG C:ZK1301 2.2 43.6 1.0 HAJ C:ZK1301 2.3 28.8 1.0 CAS C:ZK1301 2.4 35.0 1.0 CAJ C:ZK1301 2.7 23.9 1.0 HB2 C:PRO89 2.9 54.8 1.0 HE2 C:TYR16 3.1 60.5 1.0 OH C:TYR220 3.2 46.6 1.0 HG2 C:GLU13 3.4 70.1 1.0 HG3 C:PRO89 3.4 72.1 1.0 HH C:TYR220 3.5 56.0 1.0 HE3 C:MET196 3.5 77.0 1.0 CE2 C:TYR16 3.5 50.4 1.0 CB C:PRO89 3.5 45.6 1.0 HG1 C:THR195 3.6 94.2 1.0 HG2 C:PRO89 3.7 72.1 1.0 CAR C:ZK1301 3.7 45.0 1.0 HB3 C:PRO89 3.7 54.8 1.0 CG C:PRO89 3.7 60.0 1.0 CZ C:TYR220 3.8 40.8 1.0 HE2 C:TYR220 3.9 39.7 1.0 CAV C:ZK1301 4.1 25.8 1.0 CZ C:TYR16 4.1 53.2 1.0 OH C:TYR16 4.1 33.0 1.0 CE2 C:TYR220 4.1 33.0 1.0 HE2 C:MET196 4.1 77.0 1.0 OH C:TYR61 4.1 36.4 1.0 CE C:MET196 4.2 64.2 1.0 OG1 C:THR195 4.2 78.4 1.0 HH C:TYR61 4.2 43.8 1.0 NAX C:ZK1301 4.2 41.3 1.0 CG C:GLU13 4.2 58.4 1.0 HG3 C:GLU13 4.3 70.1 1.0 HE1 C:MET196 4.3 77.0 1.0 CD2 C:TYR16 4.3 52.3 1.0 HD2 C:TYR16 4.3 62.9 1.0 HAN C:ZK1301 4.4 66.7 1.0 O C:PRO89 4.6 32.0 1.0 CE1 C:TYR220 4.6 32.5 1.0 HNAP C:ZK1301 4.7 37.1 1.0 OE2 C:GLU193 4.7 0.4 1.0 HH C:TYR16 4.7 39.7 1.0 HE1 C:TYR220 4.8 39.1 1.0 CAI C:ZK1301 4.8 51.4 1.0 HB2 C:MET196 4.9 50.2 1.0 NAP C:ZK1301 4.9 30.9 1.0 CAN C:ZK1301 4.9 55.5 1.0 CD C:GLU13 4.9 58.2 1.0 CA C:PRO89 4.9 40.5 1.0 CAW C:ZK1301 5.0 19.8 1.0

Fluorine binding site 8 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:43.6 occ:1.00 FAG C:ZK1301 0.0 43.6 1.0 CAZ C:ZK1301 1.3 43.9 1.0 FAH C:ZK1301 2.2 58.3 1.0 FAF C:ZK1301 2.2 35.0 1.0 CAS C:ZK1301 2.4 35.0 1.0 HE3 C:MET196 2.7 77.0 1.0 NAX C:ZK1301 2.8 41.3 1.0 CAR C:ZK1301 3.0 45.0 1.0 HB2 C:MET196 3.0 50.2 1.0 HAKA C:ZK1301 3.3 62.8 1.0 HE2 C:MET196 3.4 77.0 1.0 HB2 C:GLU193 3.4 94.2 1.0 CE C:MET196 3.4 64.2 1.0 CAJ C:ZK1301 3.5 23.9 1.0 HAM C:ZK1301 3.5 64.0 1.0 HG1 C:THR195 3.6 94.2 1.0 CAM C:ZK1301 3.6 53.3 1.0 HAN C:ZK1301 3.6 66.7 1.0 HALA C:ZK1301 3.6 65.8 1.0 OH C:TYR220 3.6 46.6 1.0 HAJ C:ZK1301 3.6 28.8 1.0 HH C:TYR220 3.7 56.0 1.0 CAN C:ZK1301 3.7 55.5 1.0 OG1 C:THR195 3.8 78.4 1.0 HG3 C:GLU193 3.8 0.6 1.0 OE2 C:GLU193 3.9 0.4 1.0 CAK C:ZK1301 3.9 52.3 1.0 CB C:MET196 4.0 41.7 1.0 HE1 C:MET196 4.0 77.0 1.0 CAL C:ZK1301 4.1 54.8 1.0 CB C:GLU193 4.1 78.5 1.0 HG2 C:MET196 4.2 53.0 1.0 H C:MET196 4.2 52.6 1.0 CG C:GLU193 4.3 0.1 1.0 HE2 C:TYR16 4.3 60.5 1.0 HB3 C:GLU193 4.3 94.2 1.0 CAI C:ZK1301 4.3 51.4 1.0 CD C:GLU193 4.4 0.7 1.0 HB3 C:MET196 4.4 50.2 1.0 CG C:MET196 4.4 44.1 1.0 HAMA C:ZK1301 4.5 64.0 1.0 HG2 C:GLU13 4.5 70.1 1.0 HANA C:ZK1301 4.6 66.7 1.0 N C:MET196 4.6 43.8 1.0 CAV C:ZK1301 4.6 25.8 1.0 OAQ C:ZK1301 4.6 49.1 1.0 HAK C:ZK1301 4.7 62.8 1.0 SD C:MET196 4.7 66.6 1.0 CZ C:TYR220 4.8 40.8 1.0 CA C:MET196 4.8 45.9 1.0 HA C:MET196 4.9 55.2 1.0 HAI C:ZK1301 4.9 61.7 1.0 HAL C:ZK1301 5.0 65.8 1.0 CAW C:ZK1301 5.0 19.8 1.0

Fluorine binding site 9 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:58.3 occ:1.00 FAH C:ZK1301 0.0 58.3 1.0 CAZ C:ZK1301 1.3 43.9 1.0 FAF C:ZK1301 2.2 35.0 1.0 FAG C:ZK1301 2.2 43.6 1.0 HG2 C:GLU13 2.4 70.1 1.0 CAS C:ZK1301 2.4 35.0 1.0 HE3 C:MET196 2.5 77.0 1.0 HAN C:ZK1301 2.5 66.7 1.0 CG C:GLU13 2.9 58.4 1.0 HG3 C:GLU13 2.9 70.1 1.0 NAX C:ZK1301 3.1 41.3 1.0 CD C:GLU13 3.1 58.2 1.0 CAR C:ZK1301 3.1 45.0 1.0 CAN C:ZK1301 3.1 55.5 1.0 CE C:MET196 3.3 64.2 1.0 CAJ C:ZK1301 3.4 23.9 1.0 HH C:TYR61 3.4 43.8 1.0 HALA C:ZK1301 3.5 65.8 1.0 HE1 C:MET196 3.5 77.0 1.0 OE1 C:GLU13 3.5 47.4 1.0 OE2 C:GLU13 3.5 40.7 1.0 HAJ C:ZK1301 3.5 28.8 1.0 OH C:TYR61 3.8 36.4 1.0 HE2 C:TYR16 3.8 60.5 1.0 HE2 C:MET196 3.8 77.0 1.0 CAL C:ZK1301 3.9 54.8 1.0 HANA C:ZK1301 3.9 66.7 1.0 HG3 C:PRO89 4.3 72.1 1.0 CB C:GLU13 4.3 42.4 1.0 CAM C:ZK1301 4.4 53.3 1.0 CAI C:ZK1301 4.4 51.4 1.0 HAL C:ZK1301 4.4 65.8 1.0 HB2 C:MET196 4.4 50.2 1.0 HAKA C:ZK1301 4.5 62.8 1.0 CE2 C:TYR16 4.5 50.4 1.0 HD2 C:TYR16 4.5 62.9 1.0 HB3 C:GLU13 4.5 50.9 1.0 HG2 C:PRO89 4.6 72.1 1.0 CAV C:ZK1301 4.6 25.8 1.0 HAM C:ZK1301 4.7 64.0 1.0 SD C:MET196 4.7 66.6 1.0 HB2 C:GLU13 4.7 50.9 1.0 HB2 C:PRO89 4.7 54.8 1.0 HG2 C:MET196 4.7 53.0 1.0 CG C:PRO89 4.8 60.0 1.0 CAK C:ZK1301 4.9 52.3 1.0 CD2 C:TYR16 4.9 52.3 1.0 CZ C:TYR61 4.9 39.5 1.0 HE1 C:TYR61 5.0 42.8 1.0 OAQ C:ZK1301 5.0 49.1 1.0

Fluorine binding site 10 out of 24 in the GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of GLUA2(Flop) G724C Ligand Binding Core Dimer Bound to ZK200775 at 2.50 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:34.3 occ:1.00 FAF D:ZK1301 0.0 34.3 1.0 CAZ D:ZK1301 1.4 36.4 1.0 FAH D:ZK1301 2.2 24.8 1.0 FAG D:ZK1301 2.3 31.4 1.0 HAJ D:ZK1301 2.4 32.0 1.0 CAS D:ZK1301 2.4 27.1 1.0 CAJ D:ZK1301 2.8 26.6 1.0 HB2 D:PRO89 2.8 36.9 1.0 HG2 D:GLU13 3.0 29.7 1.0 HE2 D:TYR16 3.1 47.6 1.0 HG3 D:PRO89 3.2 27.6 1.0 HG2 D:PRO89 3.4 27.6 1.0 CB D:PRO89 3.4 30.7 1.0 CG D:PRO89 3.5 23.0 1.0 HE3 D:MET196 3.5 33.0 1.0 HH D:TYR220 3.6 33.3 1.0 CE2 D:TYR16 3.6 39.6 1.0 HB3 D:PRO89 3.7 36.9 1.0 CAR D:ZK1301 3.7 23.7 1.0 OH D:TYR220 3.7 27.7 1.0 OH D:TYR61 3.8 28.4 1.0 CG D:GLU13 3.8 24.7 1.0 HH D:TYR61 3.9 34.1 1.0 HD2 D:TYR16 4.0 35.1 1.0 HG3 D:GLU13 4.0 29.7 1.0 CD2 D:TYR16 4.1 29.2 1.0 HH D:TYR16 4.1 28.7 1.0 CZ D:TYR220 4.1 28.3 1.0 CAV D:ZK1301 4.2 27.1 1.0 HE1 D:TYR220 4.2 28.3 1.0 NAX D:ZK1301 4.2 29.2 1.0 CE1 D:TYR220 4.3 23.5 1.0 CZ D:TYR16 4.3 37.6 1.0 HAN D:ZK1301 4.4 34.3 1.0 O D:PRO89 4.4 23.0 1.0 OE1 D:GLU193 4.4 45.5 1.0 HG2 D:MET196 4.4 69.8 1.0 CE D:MET196 4.5 27.5 1.0 CD D:GLU13 4.5 37.5 1.0 OH D:TYR16 4.5 24.2 1.0 HG1 D:THR195 4.5 48.3 1.0 OG1 D:THR195 4.6 40.2 1.0 OE1 D:GLU13 4.7 40.8 1.0 HB3 D:GLU13 4.7 33.6 1.0 CZ D:TYR61 4.7 32.8 1.0 CA D:PRO89 4.8 25.2 1.0 HG3 D:GLU193 4.8 40.6 1.0 HE1 D:MET196 4.8 33.0 1.0 CD D:GLU193 4.8 39.2 1.0 HNAP D:ZK1301 4.8 34.6 1.0 CAI D:ZK1301 4.8 25.6 1.0 CE2 D:TYR220 4.9 27.0 1.0 CAN D:ZK1301 4.9 28.5 1.0 CB D:GLU13 4.9 27.9 1.0 HE2 D:TYR61 5.0 49.6 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