Fluorine in PDB 8r32: Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution

The structure of Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution, PDB code: 8r32 was solved by Y.Bay, M.E.Jeppesen, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.16 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.197, 100.746, 48.16, 90, 90, 90
R / Rfree (%)	15.3 / 17.9

The structure of Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Fluorine atom in the Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution (pdb code 8r32). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution, PDB code: 8r32:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:12.7 occ:1.00 FAC A:2J9902 0.0 12.7 1.0 CAK A:2J9902 1.3 10.4 1.0 CAF A:2J9902 2.3 8.6 1.0 CAD A:2J9902 2.4 9.8 1.0 H11 A:2J9902 2.5 10.3 1.0 H10 A:2J9902 2.5 11.8 1.0 CAM A:2J9902 3.6 8.1 1.0 CAE A:2J9902 3.6 10.6 1.0 CAL A:2J9902 4.1 7.2 1.0 H9 A:2J9902 4.3 12.8 1.0 HG3 A:PRO532 4.6 10.6 1.0 HG2 A:PRO532 4.9 10.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the GLUK2 Ligand-Binding Domain in Complex with L-Glutamate and BPAM344 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:9.5 occ:1.00 FAC B:2J9902 0.0 9.5 1.0 CAK B:2J9902 1.4 7.9 1.0 CAF B:2J9902 2.3 7.1 1.0 CAD B:2J9902 2.4 7.3 1.0 H11 B:2J9902 2.5 8.6 1.0 HG22 B:THR535 2.5 12.1 1.0 H10 B:2J9902 2.6 8.8 1.0 HA3 B:GLY763 2.6 10.0 1.0 HG3 B:PRO532 2.7 10.2 1.0 HB2 B:PRO532 2.8 10.7 1.0 HA B:THR535 3.0 10.2 1.0 HB3 B:PRO532 3.1 10.7 1.0 CB B:PRO532 3.2 8.9 1.0 CG B:PRO532 3.2 8.5 1.0 O B:LYS762 3.4 7.8 1.0 HG2 B:PRO532 3.4 10.2 1.0 CA B:GLY763 3.4 8.3 1.0 CG2 B:THR535 3.5 10.0 1.0 HA2 B:GLY763 3.6 10.0 1.0 CAM B:2J9902 3.6 6.5 1.0 CAE B:2J9902 3.7 6.7 1.0 C B:LYS762 3.8 7.1 1.0 N B:GLY763 3.8 7.8 1.0 O B:MET534 3.8 8.8 1.0 CA B:THR535 3.8 8.5 1.0 HG23 B:THR535 3.9 12.1 1.0 HB B:THR535 3.9 12.6 1.0 CB B:THR535 4.0 10.5 1.0 HG21 B:THR535 4.0 12.1 1.0 CAL B:2J9902 4.2 8.0 1.0 C B:MET534 4.2 8.2 1.0 N B:THR535 4.3 7.4 1.0 H B:GLY763 4.4 9.3 1.0 H9 B:2J9902 4.4 8.1 1.0 CD B:PRO532 4.6 7.1 1.0 O B:HOH1101 4.6 11.8 1.0 HA B:LYS762 4.7 8.9 1.0 CA B:PRO532 4.7 5.9 1.0 H B:LEU536 4.7 10.1 1.0 C B:GLY763 4.7 8.6 1.0 HD3 B:PRO532 4.8 8.6 1.0 HD12 B:ILE519 4.8 10.7 1.0 H B:THR535 4.8 9.0 1.0 CA B:LYS762 4.9 7.4 1.0 H B:MET534 4.9 7.2 1.0 H B:TYR764 4.9 9.3 1.0

Y.Bay, M.Egeberg Jeppesen, K.Frydenvang, P.Francotte, B.Pirotte, D.S.Pickering, A.S.Kristensen, J.S.Kastrup. The Positive Allosteric Modulator BPAM344 and L-Glutamate Introduce An Active-Like Structure of the Ligand-Binding Domain of GLUK2. Febs Lett. V. 598 743 2024.
ISSN: ISSN 0014-5793
PubMed: 38369668
DOI: 10.1002/1873-3468.14824