Fluorine in PDB 9dxs: Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine

The binding sites of Fluorine atom in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine (pdb code 9dxs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine, PDB code: 9dxs:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:27.9 occ:1.00 FAC A:2J91001 0.0 27.9 1.0 CAK A:2J91001 1.4 27.9 1.0 CAD A:2J91001 2.4 27.9 1.0 CAF A:2J91001 2.4 27.9 1.0 CA D:GLY763 3.3 115.7 1.0 O D:LYS762 3.3 114.9 1.0 CG2 D:THR535 3.5 116.2 1.0 CB D:PRO532 3.6 116.7 1.0 CAE A:2J91001 3.6 27.9 1.0 CAM A:2J91001 3.7 27.9 1.0 C D:LYS762 3.8 114.9 1.0 N D:GLY763 3.8 115.7 1.0 CG D:PRO532 3.9 116.7 1.0 CA D:THR535 3.9 116.2 1.0 O D:MET534 4.0 123.6 1.0 CB D:THR535 4.1 116.2 1.0 CAL A:2J91001 4.1 27.9 1.0 C D:MET534 4.5 123.6 1.0 N D:THR535 4.5 116.2 1.0 C D:GLY763 4.6 115.7 1.0 CA D:LYS762 4.9 114.9 1.0

Fluorine binding site 2 out of 4 in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:29.7 occ:1.00 FAC B:2J91001 0.0 29.7 1.0 CAK B:2J91001 1.4 29.7 1.0 CAD B:2J91001 2.4 29.7 1.0 CAF B:2J91001 2.4 29.7 1.0 O C:LYS762 3.2 112.0 1.0 CA C:GLY763 3.3 108.4 1.0 CB C:PRO532 3.5 98.8 1.0 CAE B:2J91001 3.6 29.7 1.0 CAM B:2J91001 3.7 29.7 1.0 CG C:PRO532 3.7 98.8 1.0 C C:LYS762 3.7 112.0 1.0 O C:MET534 3.8 102.4 1.0 N C:GLY763 3.8 108.4 1.0 CG2 C:THR535 3.9 105.2 1.0 CA C:THR535 4.1 105.2 1.0 CAL B:2J91001 4.1 29.7 1.0 CB C:THR535 4.3 105.2 1.0 C C:MET534 4.6 102.4 1.0 C C:GLY763 4.6 108.4 1.0 N C:THR535 4.7 105.2 1.0 CAD B:2J91004 4.9 68.5 1.0 CA C:LYS762 4.9 112.0 1.0 CD C:PRO532 5.0 98.8 1.0

Fluorine binding site 3 out of 4 in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine within 5.0Å range: probe atom residue distance (Å) B Occ B:F1004 b:68.5 occ:1.00 FAC B:2J91004 0.0 68.5 1.0 CAK B:2J91004 1.4 68.5 1.0 CAD B:2J91004 2.4 68.5 1.0 CAF B:2J91004 2.4 68.5 1.0 O B:LYS762 3.3 114.1 1.0 CA B:GLY763 3.3 115.2 1.0 CG2 B:THR535 3.4 115.7 1.0 CAE B:2J91004 3.6 68.5 1.0 CAM B:2J91004 3.7 68.5 1.0 CB B:PRO532 3.7 116.0 1.0 C B:LYS762 3.7 114.1 1.0 CA B:THR535 3.8 115.7 1.0 N B:GLY763 3.8 115.2 1.0 O B:MET534 3.9 123.2 1.0 CB B:THR535 3.9 115.7 1.0 CG B:PRO532 4.0 116.0 1.0 CAL B:2J91004 4.1 68.5 1.0 N B:THR535 4.4 115.7 1.0 C B:MET534 4.4 123.2 1.0 C B:GLY763 4.7 115.2 1.0 CA B:LYS762 4.9 114.1 1.0 C B:THR535 4.9 115.7 1.0 N B:LEU536 5.0 115.9 1.0 CAD B:2J91001 5.0 29.7 1.0

Fluorine binding site 4 out of 4 in the Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Ligand-Binding and Transmembrane Domains of Kainate Receptor GLUK2 in Complex with Positive Allosteric Modulator Bpam-344 and Channel Blocker Spermine within 5.0Å range: probe atom residue distance (Å) B Occ D:F1002 b:27.7 occ:1.00 FAC D:2J91002 0.0 27.7 1.0 CAK D:2J91002 1.4 27.7 1.0 CAF D:2J91002 2.4 27.7 1.0 CAD D:2J91002 2.4 27.7 1.0 O A:LYS762 3.1 112.4 1.0 CA A:GLY763 3.3 108.4 1.0 CB A:PRO532 3.5 98.3 1.0 CAE D:2J91002 3.6 27.7 1.0 CAM D:2J91002 3.7 27.7 1.0 O A:MET534 3.7 103.5 1.0 C A:LYS762 3.7 112.4 1.0 CG A:PRO532 3.7 98.3 1.0 N A:GLY763 3.8 108.4 1.0 CG2 A:THR535 3.8 104.8 1.0 CA A:THR535 4.0 104.8 1.0 CAL D:2J91002 4.1 27.7 1.0 CB A:THR535 4.2 104.8 1.0 C A:MET534 4.4 103.5 1.0 C A:GLY763 4.5 108.4 1.0 N A:THR535 4.6 104.8 1.0 CAD A:2J91001 4.8 27.9 1.0 CA A:LYS762 4.9 112.4 1.0 N A:TYR764 5.0 104.2 1.0

S.P.Gangwar, M.V.Yelshanskaya, M.Aktolun, L.Y.Yen, T.P.Newton, K.Stromgaard, M.G.Kurnikova, A.I.Sobolevsky. Trapping of Spermine, Kukoamine A, and Polyamine Toxin Blockers in GLUK2 Kainate Receptor Channels. Nat Commun V. 15 10257 2024.
ISSN: ESSN 2041-1723
PubMed: 39592599
DOI: 10.1038/S41467-024-54538-X