Fluorine in PDB 6zyu: Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549

The structure of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549, PDB code: 6zyu was solved by J.Dorosz, K.M.Christensen, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.09 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.324, 163.084, 47.449, 90, 90, 90
R / Rfree (%)	16.2 / 18.7

The structure of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Arsenic	(As)	1 atom
Zinc	(Zn)	8 atoms

The binding sites of Fluorine atom in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 (pdb code 6zyu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549, PDB code: 6zyu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ A:F307 b:21.0 occ:0.37 F1 A:QSZ307 0.0 21.0 0.4 F1 A:QSW308 0.2 20.5 0.6 C7 A:QSW308 1.3 19.4 0.6 C7 A:QSZ307 1.3 19.0 0.4 C8 A:QSW308 2.3 17.4 0.6 C6 A:QSZ307 2.4 18.6 0.4 C8 A:QSZ307 2.4 17.6 0.4 C6 A:QSW308 2.4 19.3 0.6 H7 A:QSZ307 2.6 21.1 0.4 H6 A:QSZ307 2.6 22.4 0.4 OG A:SER108 2.8 20.2 0.3 CB A:PRO105 3.4 17.7 1.0 CG A:PRO105 3.4 18.9 1.0 O A:LYS218 3.5 14.2 1.0 CB A:SER108 3.5 21.0 0.7 C9 A:QSW308 3.5 17.6 0.6 CA A:SER108 3.6 18.7 0.7 CA A:SER108 3.6 19.3 0.3 CB A:SER108 3.6 20.7 0.3 C5 A:QSW308 3.6 19.2 0.6 C9 A:QSZ307 3.7 17.5 0.4 C5 A:QSZ307 3.7 19.1 0.4 CA A:GLY219 3.7 19.2 1.0 O A:MET107 3.7 18.3 1.0 C A:LYS218 4.0 16.9 1.0 N A:SER108 4.0 17.7 1.0 C A:MET107 4.1 18.5 1.0 C4 A:QSW308 4.1 18.0 0.6 N A:GLY219 4.1 18.7 1.0 C4 A:QSZ307 4.2 17.8 0.4 H8 A:QSZ307 4.4 21.0 0.4 O A:HOH511 4.6 23.3 1.0 CA A:PRO105 4.8 17.5 1.0 OG A:SER108 4.8 21.8 0.7 C A:SER108 4.9 20.1 1.0 CD A:PRO105 4.9 17.9 1.0 C A:GLY219 4.9 18.1 1.0

Fluorine binding site 2 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ A:F308 b:20.5 occ:0.63 F1 A:QSW308 0.0 20.5 0.6 F1 A:QSZ307 0.2 21.0 0.4 C7 A:QSW308 1.3 19.4 0.6 C7 A:QSZ307 1.4 19.0 0.4 C6 A:QSZ307 2.3 18.6 0.4 C6 A:QSW308 2.4 19.3 0.6 C8 A:QSW308 2.4 17.4 0.6 H6 A:QSZ307 2.5 22.4 0.4 C8 A:QSZ307 2.5 17.6 0.4 H7 A:QSZ307 2.7 21.1 0.4 OG A:SER108 2.9 20.2 0.3 CB A:PRO105 3.3 17.7 1.0 O A:LYS218 3.4 14.2 1.0 CG A:PRO105 3.4 18.9 1.0 CA A:GLY219 3.5 19.2 1.0 CA A:SER108 3.5 18.7 0.7 CA A:SER108 3.5 19.3 0.3 O A:MET107 3.5 18.3 1.0 CB A:SER108 3.6 21.0 0.7 CB A:SER108 3.6 20.7 0.3 C5 A:QSW308 3.6 19.2 0.6 C9 A:QSW308 3.6 17.6 0.6 C5 A:QSZ307 3.6 19.1 0.4 C9 A:QSZ307 3.8 17.5 0.4 C A:LYS218 3.8 16.9 1.0 N A:SER108 3.9 17.7 1.0 C A:MET107 3.9 18.5 1.0 N A:GLY219 3.9 18.7 1.0 C4 A:QSW308 4.2 18.0 0.6 C4 A:QSZ307 4.2 17.8 0.4 H8 A:QSZ307 4.5 21.0 0.4 O A:HOH511 4.6 23.3 1.0 C A:GLY219 4.7 18.1 1.0 CA A:PRO105 4.7 17.5 1.0 C A:SER108 4.8 20.1 1.0 OG A:SER108 4.9 21.8 0.7 CD A:PRO105 4.9 17.9 1.0 CA A:LYS218 5.0 17.6 1.0

Fluorine binding site 3 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ B:F308 b:27.1 occ:0.18 F1 B:QSZ308 0.0 27.1 0.2 F1 B:QSW309 0.3 28.2 0.8 C7 B:QSZ308 1.4 25.7 0.2 C7 B:QSW309 1.4 25.8 0.8 C8 B:QSW309 2.4 25.5 0.8 C6 B:QSZ308 2.4 25.2 0.2 C8 B:QSZ308 2.4 25.4 0.2 C6 B:QSW309 2.5 24.9 0.8 OG B:SER108 3.0 25.3 0.5 C8 C:QSW306 3.3 24.9 0.6 C9 C:QSW306 3.3 24.9 0.6 CB B:PRO105 3.4 19.1 1.0 CG B:PRO105 3.4 22.4 1.0 C8 C:QSZ305 3.4 25.0 0.4 CA B:SER108 3.5 24.0 0.5 CA B:SER108 3.5 24.0 0.5 CB B:SER108 3.5 24.3 0.5 O B:LYS218 3.5 22.4 1.0 CB B:SER108 3.6 24.2 0.5 C9 C:QSZ305 3.6 25.0 0.4 C5 B:QSZ308 3.7 25.9 0.2 C9 B:QSZ308 3.7 25.7 0.2 CA B:GLY219 3.7 20.1 1.0 C9 B:QSW309 3.7 25.0 0.8 O B:MET107 3.7 25.2 1.0 C5 B:QSW309 3.8 26.1 0.8 N B:SER108 3.9 19.3 1.0 C7 C:QSZ305 4.0 25.0 0.4 C B:MET107 4.0 20.1 1.0 C B:LYS218 4.0 22.1 1.0 C7 C:QSW306 4.1 25.2 0.6 C4 C:QSW306 4.1 24.9 0.6 N B:GLY219 4.2 20.4 1.0 C4 B:QSZ308 4.2 26.1 0.2 C4 B:QSW309 4.3 25.9 0.8 C4 C:QSZ305 4.3 24.8 0.4 F1 C:QSZ305 4.5 27.7 0.4 C11 C:QSW306 4.5 28.1 0.6 O B:HOH445 4.5 25.8 1.0 C6 C:QSZ305 4.6 23.8 0.4 C12 C:QSZ305 4.6 28.2 0.4 C10 C:QSZ305 4.7 27.1 0.4 O C:HOH444 4.7 50.8 1.0 C5 C:QSZ305 4.7 24.4 0.4 F1 C:QSW306 4.7 25.2 0.6 C6 C:QSW306 4.8 23.7 0.6 OG B:SER108 4.8 24.0 0.5 C5 C:QSW306 4.8 24.6 0.6 CA B:PRO105 4.8 19.2 1.0 C B:SER108 4.8 28.9 1.0 C2 C:QSW306 4.9 26.4 0.6 C B:GLY219 4.9 21.8 1.0 CD B:PRO105 4.9 22.1 1.0

Fluorine binding site 4 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ B:F309 b:28.2 occ:0.82 F1 B:QSW309 0.0 28.2 0.8 F1 B:QSZ308 0.3 27.1 0.2 C7 B:QSZ308 1.3 25.7 0.2 C7 B:QSW309 1.4 25.8 0.8 C6 B:QSZ308 2.3 25.2 0.2 C6 B:QSW309 2.4 24.9 0.8 C8 B:QSW309 2.4 25.5 0.8 C8 B:QSZ308 2.4 25.4 0.2 OG B:SER108 3.1 25.3 0.5 O B:LYS218 3.3 22.4 1.0 CB B:PRO105 3.3 19.1 1.0 CA B:GLY219 3.4 20.1 1.0 CA B:SER108 3.4 24.0 0.5 CA B:SER108 3.4 24.0 0.5 CG B:PRO105 3.5 22.4 1.0 CB B:SER108 3.6 24.3 0.5 C5 B:QSZ308 3.6 25.9 0.2 O B:MET107 3.6 25.2 1.0 C8 C:QSW306 3.6 24.9 0.6 C9 C:QSW306 3.6 24.9 0.6 C5 B:QSW309 3.6 26.1 0.8 CB B:SER108 3.7 24.2 0.5 C9 B:QSZ308 3.7 25.7 0.2 C9 B:QSW309 3.7 25.0 0.8 C8 C:QSZ305 3.7 25.0 0.4 C B:LYS218 3.8 22.1 1.0 N B:SER108 3.9 19.3 1.0 N B:GLY219 3.9 20.4 1.0 C9 C:QSZ305 3.9 25.0 0.4 C B:MET107 3.9 20.1 1.0 C4 B:QSZ308 4.1 26.1 0.2 C4 B:QSW309 4.2 25.9 0.8 C7 C:QSZ305 4.2 25.0 0.4 C7 C:QSW306 4.3 25.2 0.6 C4 C:QSW306 4.4 24.9 0.6 O B:HOH445 4.5 25.8 1.0 C4 C:QSZ305 4.6 24.8 0.4 C B:GLY219 4.7 21.8 1.0 F1 C:QSZ305 4.7 27.7 0.4 C11 C:QSW306 4.7 28.1 0.6 C B:SER108 4.7 28.9 1.0 CA B:PRO105 4.8 19.2 1.0 C6 C:QSZ305 4.8 23.8 0.4 C12 C:QSZ305 4.8 28.2 0.4 O C:HOH444 4.8 50.8 1.0 OG B:SER108 4.8 24.0 0.5 C10 C:QSZ305 4.9 27.1 0.4 N B:LEU109 4.9 26.5 1.0 CA B:LYS218 4.9 23.8 1.0 F1 C:QSW306 5.0 25.2 0.6 S1 B:QSZ308 5.0 28.3 0.2 C5 C:QSZ305 5.0 24.4 0.4 CD B:PRO105 5.0 22.1 1.0 C6 C:QSW306 5.0 23.7 0.6

Fluorine binding site 5 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ C:F305 b:27.7 occ:0.38 F1 C:QSZ305 0.0 27.7 0.4 F1 C:QSW306 0.3 25.2 0.6 C7 C:QSZ305 1.4 25.0 0.4 C7 C:QSW306 1.4 25.2 0.6 C8 C:QSW306 2.3 24.9 0.6 C8 C:QSZ305 2.4 25.0 0.4 C6 C:QSZ305 2.4 23.8 0.4 C6 C:QSW306 2.5 23.7 0.6 OG C:SER108 2.8 23.0 0.5 C8 B:QSW309 3.3 25.5 0.8 C9 B:QSW309 3.4 25.0 0.8 CB C:PRO105 3.4 23.4 1.0 C8 B:QSZ308 3.4 25.4 0.2 O C:LYS218 3.5 24.1 1.0 CA C:SER108 3.5 22.3 0.5 CA C:SER108 3.5 22.4 0.5 CG C:PRO105 3.5 23.7 1.0 CB C:SER108 3.6 22.9 0.5 CB C:SER108 3.6 22.9 0.5 C9 B:QSZ308 3.6 25.7 0.2 C9 C:QSW306 3.6 24.9 0.6 O C:MET107 3.7 24.3 1.0 C5 C:QSZ305 3.7 24.4 0.4 C9 C:QSZ305 3.7 25.0 0.4 CA C:GLY219 3.7 22.9 1.0 C5 C:QSW306 3.8 24.6 0.6 N C:SER108 3.9 21.8 1.0 C C:MET107 4.0 20.3 1.0 C7 B:QSZ308 4.0 25.7 0.2 C C:LYS218 4.0 23.6 1.0 C7 B:QSW309 4.1 25.8 0.8 C4 B:QSW309 4.2 25.9 0.8 N C:GLY219 4.2 21.8 1.0 C4 C:QSZ305 4.2 24.8 0.4 C4 C:QSW306 4.2 24.9 0.6 C4 B:QSZ308 4.3 26.1 0.2 F1 B:QSZ308 4.5 27.1 0.2 O C:HOH432 4.6 28.4 1.0 C6 B:QSZ308 4.6 25.2 0.2 F1 B:QSW309 4.7 28.2 0.8 C10 B:QSZ308 4.7 29.9 0.2 O C:HOH444 4.7 50.8 1.0 C6 B:QSW309 4.7 24.9 0.8 C12 B:QSZ308 4.7 29.6 0.2 C5 B:QSZ308 4.8 25.9 0.2 C5 B:QSW309 4.8 26.1 0.8 C C:SER108 4.8 24.2 1.0 C12 B:QSW309 4.9 30.3 0.8 CA C:PRO105 4.9 19.4 1.0 OG C:SER108 4.9 24.8 0.5 C C:GLY219 4.9 26.9 1.0 C2 B:QSW309 5.0 28.7 0.8 CD C:PRO105 5.0 20.7 1.0

Fluorine binding site 6 out of 6 in the Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 within 5.0Å range: probe atom residue distance (Å) B Occ C:F306 b:25.2 occ:0.62 F1 C:QSW306 0.0 25.2 0.6 F1 C:QSZ305 0.3 27.7 0.4 C7 C:QSZ305 1.3 25.0 0.4 C7 C:QSW306 1.4 25.2 0.6 C6 C:QSZ305 2.2 23.8 0.4 C6 C:QSW306 2.4 23.7 0.6 C8 C:QSW306 2.4 24.9 0.6 C8 C:QSZ305 2.5 25.0 0.4 OG C:SER108 3.0 23.0 0.5 O C:LYS218 3.2 24.1 1.0 CB C:PRO105 3.3 23.4 1.0 CA C:GLY219 3.4 22.9 1.0 CA C:SER108 3.4 22.3 0.5 CA C:SER108 3.4 22.4 0.5 O C:MET107 3.5 24.3 1.0 CG C:PRO105 3.5 23.7 1.0 C5 C:QSZ305 3.5 24.4 0.4 CB C:SER108 3.6 22.9 0.5 C5 C:QSW306 3.6 24.6 0.6 C8 B:QSW309 3.7 25.5 0.8 CB C:SER108 3.7 22.9 0.5 C9 C:QSW306 3.7 24.9 0.6 C9 C:QSZ305 3.7 25.0 0.4 C9 B:QSW309 3.7 25.0 0.8 C C:LYS218 3.7 23.6 1.0 C8 B:QSZ308 3.8 25.4 0.2 N C:GLY219 3.9 21.8 1.0 N C:SER108 3.9 21.8 1.0 C C:MET107 3.9 20.3 1.0 C9 B:QSZ308 4.0 25.7 0.2 C4 C:QSZ305 4.1 24.8 0.4 C4 C:QSW306 4.2 24.9 0.6 C7 B:QSZ308 4.3 25.7 0.2 C7 B:QSW309 4.4 25.8 0.8 C4 B:QSW309 4.5 25.9 0.8 O C:HOH432 4.6 28.4 1.0 C C:GLY219 4.6 26.9 1.0 C4 B:QSZ308 4.6 26.1 0.2 C C:SER108 4.7 24.2 1.0 F1 B:QSZ308 4.7 27.1 0.2 CA C:PRO105 4.8 19.4 1.0 C6 B:QSZ308 4.9 25.2 0.2 CA C:LYS218 4.9 24.5 1.0 C10 B:QSZ308 4.9 29.9 0.2 S1 C:QSZ305 4.9 26.3 0.4 N C:TYR220 4.9 21.3 1.0 N C:LEU109 4.9 25.7 1.0 F1 B:QSW309 5.0 28.2 0.8 C12 B:QSZ308 5.0 29.6 0.2 CD C:PRO105 5.0 20.7 1.0 O C:HOH444 5.0 50.8 1.0 C6 B:QSW309 5.0 24.9 0.8

J.Dorosz, K.M.Christensen, J.S.Kastrup. Structure of the GLUA2 Ligand-Binding Domain (L483Y-N754S) in Complex with Glutamate and BPAM549 To Be Published.