Zinc 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

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

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:

Fluorine	(F)	8 atoms
Chlorine	(Cl)	22 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Zinc 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 Zinc atom.
In total 20 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 20 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 Zinc with other atoms in the Zn 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:Zn302 b:41.1 occ:0.73 OD2 A:ASP242 2.1 35.2 1.0 CD2 G:HIS47 2.2 39.8 0.7 ND1 A:HIS245 2.3 36.8 1.0 NE2 G:HIS47 2.3 41.2 0.7 ND1 G:HIS47 2.5 39.7 0.3 CE1 G:HIS47 2.6 41.2 0.3 CG A:ASP242 2.9 34.2 1.0 CE1 A:HIS245 2.9 37.9 1.0 OD1 A:ASP242 3.0 33.6 1.0 CG A:HIS245 3.4 35.3 1.0 CG G:HIS47 3.6 38.7 0.7 CE1 G:HIS47 3.6 41.0 0.7 CG G:HIS47 3.8 38.7 0.3 NE2 G:HIS47 3.9 41.1 0.3 CB A:HIS245 4.0 34.0 1.0 NE2 A:HIS245 4.1 37.1 1.0 ND1 G:HIS47 4.2 39.5 0.7 CB A:ASP242 4.3 34.0 1.0 CD2 A:HIS245 4.4 35.5 1.0 CD2 G:HIS47 4.5 39.6 0.3 CB G:HIS47 4.6 37.0 0.3 CB G:HIS47 4.7 37.0 0.7 O A:ASP242 4.7 32.4 1.0 CG1 A:ILE246 4.8 36.7 1.0 O G:HOH407 4.9 37.0 1.0

Zinc binding site 2 out of 20 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 Zinc with other atoms in the Zn 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 A:Zn303 b:57.9 occ:0.66 ND1 A:HIS82 2.3 42.7 1.0 O A:HOH407 2.7 39.2 1.0 CE1 A:HIS82 3.2 41.7 1.0 CG A:HIS82 3.3 41.4 1.0 CB A:HIS82 3.7 42.3 1.0 NE2 A:HIS82 4.3 39.9 1.0 CD2 A:HIS82 4.4 39.6 1.0

Zinc binding site 3 out of 20 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 Zinc with other atoms in the Zn 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 B:Zn302 b:38.3 occ:1.00 OD2 B:ASP242 2.0 31.0 1.0 ND1 B:HIS245 2.3 31.1 1.0 NE2 H:HIS47 2.3 30.6 1.0 CG B:ASP242 2.6 30.6 1.0 OD1 B:ASP242 2.6 30.1 1.0 O B:HOH414 2.6 26.2 1.0 CD2 H:HIS47 2.7 29.9 1.0 CE1 B:HIS245 3.1 31.6 1.0 CG B:HIS245 3.4 29.7 1.0 CE1 H:HIS47 3.6 29.9 1.0 CB B:HIS245 3.8 29.1 1.0 CG H:HIS47 4.0 28.9 1.0 CB B:ASP242 4.1 30.8 1.0 NE2 B:HIS245 4.2 30.5 1.0 CD2 B:HIS245 4.4 29.3 1.0 ND1 H:HIS47 4.4 28.9 1.0 O B:ASP242 4.6 28.4 1.0 CG1 B:ILE246 4.8 30.8 1.0 CD1 C:ILE153 4.9 27.4 1.0 N B:ILE246 5.0 28.0 1.0

Zinc binding site 4 out of 20 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 Zinc with other atoms in the Zn 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 B:Zn303 b:55.3 occ:0.68 ND1 B:HIS82 2.3 46.1 1.0 O B:HOH409 3.0 39.8 1.0 CG B:HIS82 3.2 44.5 1.0 CB B:HIS82 3.3 44.6 1.0 CE1 B:HIS82 3.4 45.7 1.0 CD2 B:HIS82 4.3 43.0 1.0 NE2 B:HIS82 4.4 43.8 1.0 CA B:HIS82 4.8 42.6 1.0

Zinc binding site 5 out of 20 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 Zinc with other atoms in the Zn 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 C:Zn302 b:39.0 occ:0.49 ND1 C:HIS47 2.3 37.4 0.5 OE2 C:GLU44 2.8 38.6 1.0 CD2 C:HIS47 2.8 37.4 0.5 CE1 C:HIS47 3.1 38.8 0.5 CG C:HIS47 3.2 37.5 0.5 CG C:HIS47 3.2 37.5 0.5 CD C:GLU44 3.5 37.7 1.0 CB C:HIS47 3.5 36.3 0.5 CB C:HIS47 3.5 36.3 0.5 NE2 C:HIS47 3.6 39.0 0.5 OE1 C:GLU44 3.7 38.2 1.0 ND1 C:HIS47 4.0 39.1 0.5 NE2 C:HIS47 4.1 39.6 0.5 CD2 C:HIS47 4.2 38.9 0.5 CE1 C:HIS47 4.2 40.0 0.5 CG C:GLU44 4.7 36.2 1.0 CA C:GLU44 4.7 36.9 1.0 ZN C:ZN303 4.8 39.4 0.5

Zinc binding site 6 out of 20 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 Zinc with other atoms in the Zn 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 C:Zn303 b:39.4 occ:0.51 NE2 C:HIS47 2.3 39.0 0.5 CE1 C:HIS47 2.3 38.8 0.5 NE2 C:HIS47 2.9 39.6 0.5 CD2 C:HIS47 3.1 37.4 0.5 ND1 C:HIS47 3.3 37.4 0.5 CE1 C:HIS47 3.4 40.0 0.5 CD2 C:HIS47 4.1 38.9 0.5 CG C:HIS47 4.3 37.5 0.5 CG C:HIS47 4.3 37.5 0.5 ND1 C:HIS47 4.4 39.1 0.5 ZN C:ZN302 4.8 39.0 0.5

Zinc binding site 7 out of 20 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 Zinc with other atoms in the Zn 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 D:Zn302 b:45.4 occ:0.52 CD2 D:HIS245 2.3 36.3 0.5 ND1 D:HIS245 2.3 36.3 0.5 OD2 D:ASP242 2.4 36.4 1.0 NE2 D:HIS245 2.7 37.2 0.5 CE1 D:HIS245 2.8 37.1 0.5 OD1 D:ASP242 3.0 35.1 1.0 CG D:ASP242 3.1 35.6 1.0 CG D:HIS245 3.3 34.7 0.5 ZN D:ZN303 3.4 44.3 0.5 CG D:HIS245 3.5 34.5 0.5 CE1 D:HIS245 3.8 36.1 0.5 NE2 D:HIS245 4.0 35.8 0.5 ND1 D:HIS245 4.1 34.6 0.5 CB D:HIS245 4.2 33.4 0.5 CB D:HIS245 4.2 33.4 0.5 CD2 D:HIS245 4.4 34.2 0.5 CB D:ASP242 4.5 35.4 1.0

Zinc binding site 8 out of 20 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 Zinc with other atoms in the Zn 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 D:Zn303 b:44.3 occ:0.48 NE2 D:HIS245 2.3 37.2 0.5 OE1 D:GLU249 2.5 38.1 1.0 CD2 D:HIS245 3.0 36.3 0.5 CE1 D:HIS245 3.4 36.1 0.5 CE1 D:HIS245 3.4 37.1 0.5 ZN D:ZN302 3.4 45.4 0.5 CD D:GLU249 3.6 38.4 1.0 NE2 D:HIS245 3.8 35.8 0.5 ND1 D:HIS245 3.8 36.3 0.5 CG D:HIS245 4.2 34.7 0.5 OE2 D:GLU249 4.2 40.1 1.0 ND1 D:HIS245 4.3 34.6 0.5 CD2 D:HIS245 4.4 34.2 0.5 CG D:HIS245 4.4 34.5 0.5 CG D:GLU249 4.8 36.7 1.0 CB D:GLU249 4.8 34.9 1.0

Zinc binding site 9 out of 20 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 Zinc with other atoms in the Zn binding site number 9 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:Zn303 b:38.3 occ:0.49 OD1 E:ASP242 2.1 35.4 1.0 ND1 E:HIS245 2.3 37.9 0.5 CG E:HIS245 2.4 38.1 0.5 CG E:HIS245 2.4 37.9 0.5 CD2 E:HIS245 2.4 40.3 0.5 CB E:HIS245 2.8 36.4 0.5 CB E:HIS245 2.8 36.4 0.5 CE1 E:HIS245 2.9 39.8 0.5 CD2 E:HIS245 3.0 40.1 0.5 ND1 E:HIS245 3.2 37.3 0.5 NE2 E:HIS245 3.2 41.0 0.5 CG E:ASP242 3.2 36.4 1.0 ZN E:ZN304 3.2 44.7 0.5 NE2 E:HIS245 3.3 41.2 0.5 CE1 E:HIS245 3.5 39.1 0.5 OD2 E:ASP242 3.6 37.8 1.0 O H:ILE212 4.2 30.1 1.0 O E:HOH408 4.2 33.7 1.0 CA E:HIS245 4.3 34.8 0.5 CA E:HIS245 4.3 34.8 0.5 CB E:ASP242 4.5 36.0 1.0 CA E:ASP242 4.9 33.5 1.0

Zinc binding site 10 out of 20 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 Zinc with other atoms in the Zn binding site number 10 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:Zn304 b:44.7 occ:0.51 NE2 E:HIS245 2.3 41.0 0.5 NE2 E:HIS245 2.4 41.2 0.5 CD2 E:HIS245 2.7 40.3 0.5 CE1 E:HIS245 2.7 39.8 0.5 CD2 E:HIS245 3.1 40.1 0.5 O E:HOH417 3.2 39.5 1.0 ZN E:ZN303 3.2 38.3 0.5 CE1 E:HIS245 3.4 39.1 0.5 ND1 E:HIS245 3.5 37.9 0.5 ZN E:ZN305 3.6 47.4 0.5 CG E:HIS245 3.8 38.1 0.5 CG E:HIS245 3.8 37.9 0.5 ND1 E:HIS245 4.1 37.3 0.5 OD2 E:ASP242 4.6 37.8 1.0 OD1 E:ASP242 4.6 35.4 1.0

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.