Fluorine in PDB 3kgc: Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775

The structure of Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775, PDB code: 3kgc was solved by A.I.Sobolevsky, M.P.Rosconi, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.06 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.657, 95.586, 97.047, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.4

The binding sites of Fluorine atom in the Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775 (pdb code 3kgc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775, PDB code: 3kgc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F263 b:14.2 occ:1.00 FAF B:ZK1263 0.0 14.2 1.0 CAZ B:ZK1263 1.3 12.6 1.0 FAH B:ZK1263 2.2 14.3 1.0 FAG B:ZK1263 2.2 15.0 1.0 CAS B:ZK1263 2.3 11.4 1.0 CAR B:ZK1263 3.0 11.5 1.0 NAX B:ZK1263 3.1 12.5 1.0 O B:HOH374 3.2 23.9 1.0 OH B:TYR220 3.2 14.0 1.0 CAJ B:ZK1263 3.3 11.8 1.0 CAM B:ZK1263 3.6 15.0 1.0 O B:HOH418 3.7 31.3 1.0 CAN B:ZK1263 3.9 15.1 1.0 CB B:MET196 3.9 11.5 1.0 OG1 B:THR195 4.1 15.3 1.0 CAK B:ZK1263 4.1 15.5 1.0 CAI B:ZK1263 4.3 11.5 1.0 CB B:GLU193 4.3 11.7 1.0 CE B:MET196 4.4 19.1 1.0 CZ B:TYR220 4.4 12.5 1.0 CAL B:ZK1263 4.5 16.8 1.0 CAV B:ZK1263 4.5 9.9 1.0 N B:MET196 4.7 10.2 1.0 CD B:GLU193 4.7 17.1 1.0 CG B:MET196 4.7 12.9 1.0 CG B:GLU193 4.8 15.3 1.0 CA B:MET196 4.8 11.1 1.0 O B:HOH526 4.9 20.7 1.0 CE2 B:TYR16 4.9 10.5 1.0 CAW B:ZK1263 4.9 10.9 1.0 OE2 B:GLU193 4.9 19.9 1.0 OE1 B:GLU193 4.9 14.4 1.0 OAQ B:ZK1263 4.9 17.2 1.0

Fluorine binding site 2 out of 3 in the Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F263 b:15.0 occ:1.00 FAG B:ZK1263 0.0 15.0 1.0 CAZ B:ZK1263 1.3 12.6 1.0 FAH B:ZK1263 2.2 14.3 1.0 FAF B:ZK1263 2.2 14.2 1.0 CAS B:ZK1263 2.3 11.4 1.0 CAJ B:ZK1263 2.6 11.8 1.0 OH B:TYR220 3.3 14.0 1.0 O B:HOH374 3.5 23.9 1.0 CG B:PRO89 3.5 9.8 1.0 CB B:PRO89 3.5 9.8 1.0 CE2 B:TYR16 3.5 10.5 1.0 CAR B:ZK1263 3.6 11.5 1.0 CZ B:TYR220 3.9 12.5 1.0 OH B:TYR61 4.0 12.3 1.0 CAV B:ZK1263 4.0 9.9 1.0 CG B:GLU13 4.0 12.7 1.0 CZ B:TYR16 4.1 10.2 1.0 OH B:TYR16 4.2 12.0 1.0 CD2 B:TYR16 4.2 10.7 1.0 NAX B:ZK1263 4.3 12.5 1.0 O B:HOH418 4.4 31.3 1.0 CE2 B:TYR220 4.4 12.5 1.0 O B:PRO89 4.5 10.4 1.0 CE1 B:TYR220 4.5 11.2 1.0 CD B:GLU13 4.5 15.0 1.0 OE1 B:GLU13 4.7 14.5 1.0 CAI B:ZK1263 4.7 11.5 1.0 CAN B:ZK1263 4.7 15.1 1.0 CZ B:TYR61 4.8 10.5 1.0 OG1 B:THR195 4.9 15.3 1.0 NAP B:ZK1263 4.9 10.4 1.0 CAW B:ZK1263 4.9 10.9 1.0 CA B:PRO89 4.9 10.2 1.0

Fluorine binding site 3 out of 3 in the Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Isolated Ligand Binding Domain Dimer of GLUA2 Ionotropic Glutamate Receptor in Complex with Glutamate, Ly 404187 and Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F263 b:14.3 occ:1.00 FAH B:ZK1263 0.0 14.3 1.0 CAZ B:ZK1263 1.3 12.6 1.0 FAF B:ZK1263 2.2 14.2 1.0 FAG B:ZK1263 2.2 15.0 1.0 CAS B:ZK1263 2.4 11.4 1.0 CAN B:ZK1263 2.9 15.1 1.0 NAX B:ZK1263 3.0 12.5 1.0 CAR B:ZK1263 3.0 11.5 1.0 CD B:GLU13 3.1 15.0 1.0 CG B:GLU13 3.2 12.7 1.0 OE1 B:GLU13 3.4 14.5 1.0 CE B:MET196 3.5 19.1 1.0 OE2 B:GLU13 3.5 14.8 1.0 CAJ B:ZK1263 3.5 11.8 1.0 CAL B:ZK1263 3.7 16.8 1.0 OH B:TYR61 4.0 12.3 1.0 O B:HOH374 4.1 23.9 1.0 CAM B:ZK1263 4.1 15.0 1.0 CAI B:ZK1263 4.3 11.5 1.0 CAK B:ZK1263 4.5 15.5 1.0 CE2 B:TYR16 4.6 10.5 1.0 CB B:GLU13 4.6 11.6 1.0 CAV B:ZK1263 4.7 9.9 1.0 OAQ B:ZK1263 4.7 17.2 1.0 O B:HOH526 4.8 20.7 1.0 CB B:MET196 4.8 11.5 1.0 SD B:MET196 4.9 17.1 1.0 OH B:TYR220 4.9 14.0 1.0 CZ B:TYR61 5.0 10.5 1.0

A.I.Sobolevsky, M.P.Rosconi, E.Gouaux. X-Ray Structure, Symmetry and Mechanism of An Ampa-Subtype Glutamate Receptor Nature V. 462 745 2009.
ISSN: ISSN 0028-0836
PubMed: 19946266