Zinc in PDB 2al4: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614., PDB code: 2al4 was solved by R.Jin, S.Clark, A.M.Weeks, J.T.Dudman, E.Gouaux, K.M.Partin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	114.338, 163.722, 47.310, 90.00, 90.03, 90.00
R / Rfree (%)	20.9 / 22.3

The binding sites of Zinc atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. (pdb code 2al4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614., PDB code: 2al4:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn821 b:16.1 occ:1.00 OE2 B:GLU166 2.1 15.5 1.0 OE1 A:GLU42 2.1 14.8 1.0 NE2 A:HIS46 2.1 14.4 1.0 CD B:GLU166 2.7 15.3 1.0 OE1 B:GLU166 2.8 17.4 1.0 CD A:GLU42 3.0 14.5 1.0 CD2 A:HIS46 3.1 15.8 1.0 CE1 A:HIS46 3.1 16.5 1.0 OE2 A:GLU42 3.3 15.7 1.0 CD2 A:LEU241 4.2 16.1 1.0 CG A:HIS46 4.2 14.5 1.0 ND1 A:HIS46 4.2 14.8 1.0 CG B:GLU166 4.2 17.0 1.0 N B:SER168 4.3 13.4 1.0 CG A:GLU42 4.3 12.7 1.0 O B:ALA165 4.6 11.8 1.0 CB A:GLU42 4.7 11.9 1.0 CB B:SER168 4.7 14.8 1.0 CB B:GLU166 4.8 14.4 1.0 CA B:SER168 4.8 12.5 1.0 C B:PRO167 4.9 13.8 1.0 CA B:GLU166 4.9 15.2 1.0 CD2 A:LEU246 5.0 21.2 1.0

Zinc binding site 2 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn822 b:24.2 occ:1.00 NE2 B:HIS23 2.1 19.6 1.0 OE2 B:GLU30 2.3 23.8 1.0 OE1 B:GLU30 2.9 21.9 1.0 CD B:GLU30 2.9 23.4 1.0 CD2 B:HIS23 3.0 19.1 1.0 CE1 B:HIS23 3.1 18.5 1.0 CD B:LYS20 4.0 20.9 1.0 NZ B:LYS20 4.1 23.0 1.0 CG B:HIS23 4.2 20.2 1.0 ND1 B:HIS23 4.2 19.4 1.0 O B:GLU30 4.3 17.9 1.0 CG B:GLU30 4.4 22.7 1.0 CD1 B:LEU26 4.5 33.0 1.0 CE B:LYS20 4.7 21.2 1.0

Zinc binding site 3 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn824 b:17.2 occ:1.00 NE2 B:HIS46 2.0 14.3 1.0 OE1 B:GLU42 2.1 15.1 1.0 O B:HOH825 2.3 16.9 1.0 CD B:GLU42 3.0 14.8 1.0 CD2 B:HIS46 3.0 15.8 1.0 CE1 B:HIS46 3.1 16.2 1.0 OE2 B:GLU42 3.2 17.6 1.0 CD2 B:LEU241 3.6 17.4 1.0 OE1 B:GLN244 3.7 31.4 1.0 NZ B:LYS45 4.0 17.0 1.0 CE B:LYS45 4.0 17.4 1.0 ND1 B:HIS46 4.1 17.1 1.0 CG B:HIS46 4.2 15.5 1.0 CG B:GLU42 4.3 13.7 1.0 CD B:GLN244 4.5 29.0 1.0 NE2 B:GLN244 4.5 28.8 1.0 CB B:GLU42 4.7 12.1 1.0

Zinc binding site 4 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn823 b:24.7 occ:1.00 OD2 C:ASP65 2.1 17.6 1.0 CG C:ASP65 2.8 21.6 1.0 OD1 C:ASP65 2.9 22.3 1.0 OD2 C:ASP67 4.2 37.1 1.0 CB C:ASP65 4.3 19.2 1.0 CB C:ASP67 4.5 32.0 1.0 CG C:ASP67 4.9 34.9 1.0 CG2 C:THR68 5.0 25.2 1.0

Zinc binding site 5 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn825 b:39.3 occ:1.00 NE2 C:HIS46 2.3 29.7 1.0 OE1 C:GLU42 2.3 26.0 1.0 CE1 C:HIS46 3.2 28.8 1.0 CD2 C:HIS46 3.3 28.3 1.0 CD C:GLU42 3.4 26.4 1.0 OE1 C:GLN244 3.8 32.1 1.0 OE2 C:GLU42 3.9 31.4 1.0 CD2 C:LEU241 3.9 14.9 1.0 ND1 C:HIS46 4.3 28.6 1.0 CG C:HIS46 4.4 26.8 1.0 NE2 C:GLN244 4.6 31.2 1.0 CD C:GLN244 4.6 30.5 1.0 CG C:GLU42 4.6 24.1 1.0 CB C:GLU42 4.9 19.8 1.0

Zinc binding site 6 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn826 b:18.1 occ:1.00 OE2 E:GLU166 2.1 16.6 1.0 OE1 D:GLU42 2.1 15.9 1.0 NE2 D:HIS46 2.2 15.2 1.0 CD E:GLU166 2.8 17.8 1.0 OE1 E:GLU166 2.8 18.4 1.0 CD D:GLU42 3.0 16.8 1.0 CD2 D:HIS46 3.1 16.6 1.0 CE1 D:HIS46 3.2 17.8 1.0 OE2 D:GLU42 3.3 17.5 1.0 CD2 D:LEU241 4.2 16.9 1.0 CG E:GLU166 4.2 16.8 1.0 N E:SER168 4.2 15.9 1.0 CG D:HIS46 4.2 15.4 1.0 ND1 D:HIS46 4.2 14.9 1.0 CG D:GLU42 4.3 13.3 1.0 O E:ALA165 4.6 12.7 1.0 CB E:SER168 4.7 17.2 1.0 CB D:GLU42 4.7 13.1 1.0 CA E:SER168 4.8 15.0 1.0 CB E:GLU166 4.8 15.8 1.0 C E:PRO167 4.9 15.3 1.0 CA E:GLU166 4.9 15.2 1.0 CD2 D:LEU246 5.0 22.1 1.0

Zinc binding site 7 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn827 b:22.6 occ:1.00 NE2 E:HIS23 2.1 18.9 1.0 OE2 E:GLU30 2.2 21.8 1.0 OE1 E:GLU30 2.9 22.2 1.0 CD E:GLU30 2.9 22.5 1.0 CD2 E:HIS23 3.0 17.7 1.0 CE1 E:HIS23 3.2 17.5 1.0 CD E:LYS20 4.0 18.9 1.0 NZ E:LYS20 4.1 19.8 1.0 CG E:HIS23 4.2 20.0 1.0 ND1 E:HIS23 4.3 18.6 1.0 O E:GLU30 4.3 18.8 1.0 CG E:GLU30 4.4 22.4 1.0 CD1 E:LEU26 4.5 31.9 1.0 CE E:LYS20 4.7 19.4 1.0

Zinc binding site 8 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn829 b:18.1 occ:1.00 NE2 E:HIS46 2.0 15.7 1.0 OE1 E:GLU42 2.1 16.2 1.0 O E:HOH832 2.3 17.6 1.0 CD E:GLU42 3.0 16.2 1.0 CD2 E:HIS46 3.0 15.9 1.0 CE1 E:HIS46 3.0 18.3 1.0 OE2 E:GLU42 3.3 17.8 1.0 CD2 E:LEU241 3.6 17.4 1.0 OE1 E:GLN244 3.7 30.9 1.0 CE E:LYS45 4.0 18.5 1.0 NZ E:LYS45 4.0 16.9 1.0 ND1 E:HIS46 4.1 18.1 1.0 CG E:HIS46 4.1 15.6 1.0 CG E:GLU42 4.3 13.8 1.0 CD E:GLN244 4.5 28.4 1.0 NE2 E:GLN244 4.5 28.1 1.0 CB E:GLU42 4.7 12.0 1.0

Zinc binding site 9 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn828 b:24.9 occ:1.00 OD2 F:ASP65 2.1 19.1 1.0 CG F:ASP65 2.8 20.2 1.0 OD1 F:ASP65 2.9 22.4 1.0 OD2 F:ASP67 4.2 37.0 1.0 CB F:ASP65 4.3 18.9 1.0 CB F:ASP67 4.5 32.2 1.0 CG F:ASP67 4.9 34.8 1.0

Zinc binding site 10 out of 10 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614.


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate and CX614. within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn830 b:41.3 occ:1.00 NE2 F:HIS46 2.3 29.7 1.0 OE1 F:GLU42 2.3 26.3 1.0 CE1 F:HIS46 3.2 30.0 1.0 CD2 F:HIS46 3.3 29.0 1.0 CD F:GLU42 3.4 26.6 1.0 OE1 F:GLN244 3.8 33.2 1.0 CD2 F:LEU241 3.9 16.9 1.0 OE2 F:GLU42 3.9 31.2 1.0 ND1 F:HIS46 4.3 29.4 1.0 CG F:HIS46 4.4 27.8 1.0 NE2 F:GLN244 4.6 32.0 1.0 CD F:GLN244 4.6 31.1 1.0 CG F:GLU42 4.6 24.5 1.0 CB F:GLU42 4.9 20.4 1.0

R.Jin, S.Clark, A.M.Weeks, J.T.Dudman, E.Gouaux, K.M.Partin. Mechanism of Positive Allosteric Modulators Acting on Ampa Receptors. J.Neurosci. V. 25 9027 2005.
ISSN: ISSN 0270-6474
PubMed: 16192394
DOI: 10.1523/JNEUROSCI.2567-05.2005