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Fluorine in PDB 8bsu: Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution

Protein crystallography data

The structure of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution, PDB code: 8bsu was solved by R.Venskutonyte, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.33 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 83.145, 100.559, 132.826, 90, 103.93, 90
R / Rfree (%) 20.7 / 23.5

Other elements in 8bsu:

The structure of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution also contains other interesting chemical elements:

Zinc (Zn) 20 atoms
Chlorine (Cl) 22 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution (pdb code 8bsu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution, PDB code: 8bsu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 1 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:22.6
occ:1.00
FAC A:2J9301 0.0 22.6 1.0
CAK A:2J9301 1.4 22.6 1.0
CAF A:2J9301 2.4 22.6 1.0
CAD A:2J9301 2.4 22.6 1.0
CB D:PRO106 3.2 19.9 1.0
O D:LYS215 3.2 23.9 1.0
CG D:PRO106 3.2 20.6 1.0
CG2 D:THR109 3.3 23.5 1.0
CA D:GLY216 3.5 21.7 1.0
CAM A:2J9301 3.7 22.6 1.0
CAE A:2J9301 3.7 22.6 1.0
CA D:THR109 3.8 22.4 1.0
C D:LYS215 3.8 23.6 1.0
O D:MET108 3.9 22.1 1.0
CB D:THR109 3.9 23.4 1.0
N D:GLY216 3.9 22.1 1.0
CAD D:2J9301 4.0 21.2 1.0
CAE D:2J9301 4.2 21.2 1.0
CAL A:2J9301 4.2 22.6 1.0
N D:THR109 4.3 22.1 1.0
C D:MET108 4.3 22.6 1.0
CAK D:2J9301 4.4 21.2 1.0
CD D:PRO106 4.7 20.6 1.0
CA D:PRO106 4.7 19.6 1.0
C D:GLY216 4.7 21.2 1.0
CAL D:2J9301 4.7 21.2 1.0
FAC D:2J9301 4.8 21.2 1.0
CAF D:2J9301 4.9 21.2 1.0

Fluorine binding site 2 out of 8 in 8bsu

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Fluorine binding site 2 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:23.4
occ:1.00
FAC B:2J9301 0.0 23.4 1.0
CAK B:2J9301 1.4 23.4 1.0
CAD B:2J9301 2.4 23.4 1.0
CAF B:2J9301 2.4 23.4 1.0
CB C:PRO106 3.2 22.3 1.0
CG C:PRO106 3.3 22.3 1.0
CG2 C:THR109 3.3 23.9 1.0
O C:LYS215 3.3 24.7 1.0
CA C:GLY216 3.4 24.6 1.0
CAM B:2J9301 3.7 23.4 1.0
CAE B:2J9301 3.7 23.4 1.0
CA C:THR109 3.8 24.0 1.0
O C:MET108 3.8 24.2 1.0
C C:LYS215 3.9 24.7 1.0
CB C:THR109 3.9 23.9 1.0
N C:GLY216 4.0 24.2 1.0
CAD C:2J9301 4.0 22.7 1.0
CAE C:2J9301 4.2 22.7 1.0
CAL B:2J9301 4.2 23.4 1.0
N C:THR109 4.3 24.6 1.0
C C:MET108 4.3 24.5 1.0
CAK C:2J9301 4.4 22.7 1.0
C C:GLY216 4.6 25.1 1.0
CD C:PRO106 4.7 22.7 1.0
CA C:PRO106 4.7 23.0 1.0
CAL C:2J9301 4.8 22.7 1.0
FAC C:2J9301 4.8 22.7 1.0
O C:HOH408 4.8 22.1 1.0
CAF C:2J9301 4.9 22.7 1.0

Fluorine binding site 3 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 3 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:22.7
occ:1.00
FAC C:2J9301 0.0 22.7 1.0
CAK C:2J9301 1.4 22.7 1.0
CAF C:2J9301 2.4 22.7 1.0
CAD C:2J9301 2.4 22.7 1.0
CG2 B:THR109 3.2 25.2 1.0
O B:LYS215 3.2 24.2 1.0
CG B:PRO106 3.2 22.6 1.0
CB B:PRO106 3.3 21.6 1.0
CA B:GLY216 3.4 23.5 1.0
CAM C:2J9301 3.7 22.7 1.0
CAE C:2J9301 3.7 22.7 1.0
CA B:THR109 3.8 23.9 1.0
CB B:THR109 3.8 24.7 1.0
C B:LYS215 3.8 24.2 1.0
CAD B:2J9301 3.9 23.4 1.0
N B:GLY216 3.9 23.9 1.0
O B:MET108 4.0 24.1 1.0
CAE B:2J9301 4.1 23.4 1.0
CAL C:2J9301 4.2 22.7 1.0
N B:THR109 4.3 23.6 1.0
C B:MET108 4.3 24.3 1.0
CAK B:2J9301 4.3 23.4 1.0
C B:GLY216 4.7 23.1 1.0
CD B:PRO106 4.7 23.1 1.0
CAL B:2J9301 4.8 23.4 1.0
CA B:PRO106 4.8 21.6 1.0
FAC B:2J9301 4.8 23.4 1.0
CAF B:2J9301 4.9 23.4 1.0

Fluorine binding site 4 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 4 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F301

b:21.2
occ:1.00
FAC D:2J9301 0.0 21.2 1.0
CAK D:2J9301 1.4 21.2 1.0
CAF D:2J9301 2.4 21.2 1.0
CAD D:2J9301 2.4 21.2 1.0
CB A:PRO106 3.2 20.7 1.0
CG2 A:THR109 3.2 22.8 1.0
O A:LYS215 3.3 23.2 1.0
CG A:PRO106 3.3 20.9 1.0
CA A:GLY216 3.5 22.7 1.0
CAM D:2J9301 3.7 21.2 1.0
CAE D:2J9301 3.7 21.2 1.0
CA A:THR109 3.8 22.6 1.0
CB A:THR109 3.9 23.1 1.0
O A:MET108 3.9 22.7 1.0
C A:LYS215 3.9 23.0 1.0
CAD A:2J9301 3.9 22.6 1.0
N A:GLY216 4.0 22.9 1.0
CAE A:2J9301 4.1 22.6 1.0
CAL D:2J9301 4.2 21.2 1.0
N A:THR109 4.3 22.5 1.0
C A:MET108 4.3 23.1 1.0
CAK A:2J9301 4.3 22.6 1.0
O A:HOH401 4.6 21.4 1.0
CD A:PRO106 4.7 20.9 1.0
CA A:PRO106 4.7 20.7 1.0
C A:GLY216 4.7 22.6 1.0
CAL A:2J9301 4.7 22.6 1.0
FAC A:2J9301 4.8 22.6 1.0
CAF A:2J9301 4.9 22.6 1.0

Fluorine binding site 5 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 5 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F301

b:21.0
occ:1.00
FAC E:2J9301 0.0 21.0 1.0
CAK E:2J9301 1.4 21.0 1.0
CAF E:2J9301 2.4 21.0 1.0
CAD E:2J9301 2.4 21.0 1.0
CG2 H:THR109 3.2 22.5 1.0
O H:LYS215 3.3 23.1 1.0
CG H:PRO106 3.4 19.6 1.0
CB H:PRO106 3.4 19.4 1.0
CA H:GLY216 3.7 21.9 1.0
CAM E:2J9301 3.7 21.0 1.0
CAE E:2J9301 3.7 21.0 1.0
CA H:THR109 3.9 22.3 1.0
CAD E:2J9302 3.9 20.9 1.0
CB H:THR109 3.9 22.8 1.0
C H:LYS215 4.0 22.9 1.0
O H:MET108 4.0 21.0 1.0
CAE E:2J9302 4.1 20.9 1.0
N H:GLY216 4.2 22.1 1.0
CAL E:2J9301 4.2 21.0 1.0
CAK E:2J9302 4.3 20.9 1.0
N H:THR109 4.4 22.1 1.0
C H:MET108 4.4 21.4 1.0
CAL E:2J9302 4.6 20.9 1.0
FAC E:2J9302 4.7 20.9 1.0
CAF E:2J9302 4.8 20.9 1.0
CD H:PRO106 4.8 19.4 1.0
CA H:PRO106 4.9 19.3 1.0
C H:GLY216 4.9 21.7 1.0
CAM E:2J9302 4.9 20.9 1.0
CAH E:2J9302 5.0 20.9 1.0

Fluorine binding site 6 out of 8 in 8bsu

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Fluorine binding site 6 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F302

b:20.9
occ:1.00
FAC E:2J9302 0.0 20.9 1.0
CAK E:2J9302 1.4 20.9 1.0
CAD E:2J9302 2.4 20.9 1.0
CAF E:2J9302 2.4 20.9 1.0
CB E:PRO106 3.2 20.5 1.0
O E:LYS215 3.3 22.7 1.0
CG E:PRO106 3.3 20.9 1.0
CA E:GLY216 3.4 21.0 1.0
CG2 E:THR109 3.5 23.7 1.0
CAM E:2J9302 3.7 20.9 1.0
CAE E:2J9302 3.7 20.9 1.0
O E:MET108 3.8 21.6 1.0
CA E:THR109 3.8 22.8 1.0
C E:LYS215 3.8 22.2 1.0
N E:GLY216 3.8 21.1 1.0
CAD E:2J9301 4.0 21.0 1.0
CB E:THR109 4.0 23.7 1.0
CAL E:2J9302 4.2 20.9 1.0
CAE E:2J9301 4.2 21.0 1.0
C E:MET108 4.3 22.4 1.0
N E:THR109 4.3 22.8 1.0
CAK E:2J9301 4.3 21.0 1.0
C E:GLY216 4.6 20.5 1.0
FAC E:2J9301 4.7 21.0 1.0
CD E:PRO106 4.7 20.7 1.0
CA E:PRO106 4.8 20.3 1.0
CAL E:2J9301 4.9 21.0 1.0
CA E:LYS215 4.9 22.4 1.0
CAF E:2J9301 5.0 21.0 1.0
C E:THR109 5.0 23.1 1.0

Fluorine binding site 7 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 7 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F301

b:27.1
occ:1.00
FAC F:2J9301 0.0 27.1 1.0
CAK F:2J9301 1.4 27.1 1.0
CAF F:2J9301 2.4 27.1 1.0
CAD F:2J9301 2.4 27.1 1.0
CB G:PRO106 3.2 28.2 1.0
CG G:PRO106 3.2 28.1 1.0
CG2 G:THR109 3.3 28.1 1.0
O G:LYS215 3.3 29.4 1.0
CA G:GLY216 3.5 28.8 1.0
CAM F:2J9301 3.7 27.1 1.0
CAE F:2J9301 3.7 27.1 1.0
CA G:THR109 3.9 28.4 1.0
C G:LYS215 3.9 29.5 1.0
O G:MET108 3.9 29.0 1.0
CAD G:2J9301 3.9 26.9 1.0
CB G:THR109 4.0 28.4 1.0
N G:GLY216 4.0 28.9 1.0
CAE G:2J9301 4.2 26.9 1.0
CAL F:2J9301 4.2 27.1 1.0
CAK G:2J9301 4.3 26.9 1.0
N G:THR109 4.4 28.5 1.0
C G:MET108 4.4 29.1 1.0
CD G:PRO106 4.6 28.4 1.0
C G:GLY216 4.7 29.3 1.0
CA G:PRO106 4.7 28.6 1.0
CAL G:2J9301 4.8 26.9 1.0
FAC G:2J9301 4.8 26.9 1.0
CAF G:2J9301 4.9 26.9 1.0

Fluorine binding site 8 out of 8 in 8bsu

Go back to Fluorine Binding Sites List in 8bsu
Fluorine binding site 8 out of 8 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F301

b:26.9
occ:1.00
FAC G:2J9301 0.0 26.9 1.0
CAK G:2J9301 1.4 26.9 1.0
CAD G:2J9301 2.4 26.9 1.0
CAF G:2J9301 2.4 26.9 1.0
CB F:PRO106 3.1 25.4 1.0
CG F:PRO106 3.2 26.0 1.0
CG2 F:THR109 3.3 26.8 1.0
CA F:GLY216 3.4 25.9 1.0
O F:LYS215 3.4 27.6 1.0
CAM G:2J9301 3.7 26.9 1.0
CAE G:2J9301 3.7 26.9 1.0
CA F:THR109 3.8 25.8 1.0
O F:MET108 3.9 26.7 1.0
C F:LYS215 3.9 27.6 1.0
N F:GLY216 3.9 25.9 1.0
CAD F:2J9301 3.9 27.1 1.0
CB F:THR109 3.9 26.3 1.0
CAE F:2J9301 4.2 27.1 1.0
CAL G:2J9301 4.2 26.9 1.0
N F:THR109 4.3 26.1 1.0
C F:MET108 4.3 26.9 1.0
CAK F:2J9301 4.3 27.1 1.0
C F:GLY216 4.6 26.1 1.0
CD F:PRO106 4.6 26.7 1.0
CA F:PRO106 4.6 25.9 1.0
FAC F:2J9301 4.8 27.1 1.0
CAL F:2J9301 4.8 27.1 1.0
CAF F:2J9301 4.9 27.1 1.0
N F:TYR217 5.0 26.7 1.0

Reference:

Y.Bay, R.Venskutonyte, S.M.Frantsen, T.S.Thorsen, M.Musgaard, K.Frydenvang, P.Francotte, B.Pirotte, P.C.Biggin, A.S.Kristensen, T.Boesen, D.S.Pickering, M.Gajhede, J.S.Kastrup. Positive Allosteric Modulation of Homomeric Kainate Receptors GLUK1-3 To Be Published.
Page generated: Wed Jul 16 02:58:24 2025

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