Fluorine in PDB 9b37: Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map.

The structure of Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Fluorine atom in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. (pdb code 9b37). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map., PDB code: 9b37:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:86.6 occ:1.00 FAC A:2J91001 0.0 86.6 1.0 CAK A:2J91001 1.4 86.6 1.0 CAD A:2J91001 2.4 86.6 1.0 CAF A:2J91001 2.4 86.6 1.0 O D:LYS762 3.2 51.4 1.0 CB D:PRO532 3.3 50.3 1.0 CG D:PRO532 3.5 50.3 1.0 CA D:GLY763 3.5 49.1 1.0 CAE A:2J91001 3.6 86.6 1.0 CAM A:2J91001 3.7 86.6 1.0 CAD D:2J91002 3.7 69.0 1.0 O D:MET534 3.8 60.5 1.0 C D:LYS762 3.9 51.4 1.0 CA D:THR535 4.0 52.7 1.0 CG2 D:THR535 4.0 52.7 1.0 N D:GLY763 4.1 49.1 1.0 CAL A:2J91001 4.2 86.6 1.0 CAK D:2J91002 4.2 69.0 1.0 CAE D:2J91002 4.3 69.0 1.0 FAC D:2J91002 4.3 69.0 1.0 CB D:THR535 4.4 52.7 1.0 C D:MET534 4.4 60.5 1.0 N D:THR535 4.5 52.7 1.0 CD D:PRO532 4.6 50.3 1.0 C D:GLY763 4.8 49.1 1.0 CA D:PRO532 4.8 50.3 1.0

Fluorine binding site 2 out of 4 in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. within 5.0Å range: probe atom residue distance (Å) B Occ B:F1002 b:51.8 occ:1.00 FAC B:2J91002 0.0 51.8 1.0 CAK B:2J91002 1.4 51.8 1.0 CAD B:2J91002 2.4 51.8 1.0 CAF B:2J91002 2.4 51.8 1.0 CB C:PRO532 3.2 36.5 1.0 CG C:PRO532 3.4 36.5 1.0 O C:LYS762 3.4 51.2 1.0 CA C:GLY763 3.6 42.0 1.0 CAE B:2J91002 3.6 51.8 1.0 CAM B:2J91002 3.7 51.8 1.0 CAD C:2J91002 3.7 76.0 1.0 O C:MET534 3.9 40.5 1.0 C C:LYS762 4.0 51.2 1.0 CA C:THR535 4.1 45.6 0.4 CA C:THR535 4.1 45.6 0.6 CAE C:2J91002 4.1 76.0 1.0 CAK C:2J91002 4.1 76.0 1.0 CAL B:2J91002 4.2 51.8 1.0 N C:GLY763 4.2 42.0 1.0 CB C:THR535 4.3 45.6 0.6 CB C:THR535 4.3 45.6 0.4 FAC C:2J91002 4.4 76.0 1.0 C C:MET534 4.5 40.5 1.0 CD C:PRO532 4.5 36.5 1.0 N C:THR535 4.6 45.6 1.0 CA C:PRO532 4.7 36.5 1.0 CAF C:2J91002 4.9 76.0 1.0 C C:GLY763 4.9 42.0 1.0 CAL C:2J91002 4.9 76.0 1.0

Fluorine binding site 3 out of 4 in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. within 5.0Å range: probe atom residue distance (Å) B Occ C:F1002 b:76.0 occ:1.00 FAC C:2J91002 0.0 76.0 1.0 CAK C:2J91002 1.4 76.0 1.0 CAD C:2J91002 2.4 76.0 1.0 CAF C:2J91002 2.4 76.0 1.0 O B:LYS762 3.2 54.7 1.0 CB B:PRO532 3.4 48.7 1.0 CG B:PRO532 3.6 48.7 1.0 CA B:GLY763 3.6 52.5 1.0 CAE C:2J91002 3.6 76.0 1.0 CAM C:2J91002 3.7 76.0 1.0 CAD B:2J91002 3.8 51.8 1.0 O B:MET534 3.8 55.7 1.0 CG2 B:THR535 3.9 55.6 1.0 CA B:THR535 3.9 55.6 1.0 C B:LYS762 4.0 54.7 1.0 CAL C:2J91002 4.2 76.0 1.0 N B:GLY763 4.2 52.5 1.0 CAK B:2J91002 4.2 51.8 1.0 CAE B:2J91002 4.3 51.8 1.0 CB B:THR535 4.3 55.6 1.0 C B:MET534 4.3 55.7 1.0 FAC B:2J91002 4.4 51.8 1.0 N B:THR535 4.4 55.6 1.0 CD B:PRO532 4.7 48.7 1.0 CA B:PRO532 4.9 48.7 1.0 C B:GLY763 4.9 52.5 1.0

Fluorine binding site 4 out of 4 in the Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Open State of Kainate Receptor GLUK2 in Complex with Agonist Glutamate and Positive Allosteric Modulator BPAM344 Bound to One Concanavalin A Dimer. Composite Map. within 5.0Å range: probe atom residue distance (Å) B Occ D:F1002 b:69.0 occ:1.00 FAC D:2J91002 0.0 69.0 1.0 CAK D:2J91002 1.4 69.0 1.0 CAF D:2J91002 2.4 69.0 1.0 CAD D:2J91002 2.4 69.0 1.0 CB A:PRO532 3.3 50.4 1.0 O A:LYS762 3.4 64.5 1.0 CG A:PRO532 3.5 50.4 1.0 CAD A:2J91001 3.6 86.6 1.0 CAE D:2J91002 3.7 69.0 1.0 CAM D:2J91002 3.7 69.0 1.0 CA A:GLY763 3.8 58.1 1.0 O A:MET534 3.9 59.8 1.0 CA A:THR535 4.0 60.4 0.4 CA A:THR535 4.0 60.4 0.6 CAE A:2J91001 4.0 86.6 1.0 CAK A:2J91001 4.0 86.6 1.0 C A:LYS762 4.1 64.5 1.0 CAL D:2J91002 4.2 69.0 1.0 CB A:THR535 4.2 60.4 0.6 CB A:THR535 4.2 60.4 0.4 N A:GLY763 4.3 58.1 1.0 FAC A:2J91001 4.3 86.6 1.0 C A:MET534 4.5 59.8 1.0 N A:THR535 4.5 60.4 1.0 CD A:PRO532 4.6 50.4 1.0 CAF A:2J91001 4.7 86.6 1.0 CAL A:2J91001 4.8 86.6 1.0 CA A:PRO532 4.8 50.4 1.0

S.P.Gangwar, M.V.Yelshanskaya, K.D.Nadezhdin, L.Y.Yen, T.P.Newton, M.Aktolun, M.G.Kurnikova, A.I.Sobolevsky. Kainate Receptor Channel Opening and Gating Mechanism Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-024-07475-0