Zinc in PDB 4lz7: Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators

The structure of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators, PDB code: 4lz7 was solved by J.Pandit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.380, 164.344, 47.402, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24

The structure of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators (pdb code 4lz7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators, PDB code: 4lz7:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:17.7 occ:1.00 OE1 B:GLU678 1.8 12.2 1.0 OE1 A:GLU431 2.0 15.1 1.0 NE2 A:HIS435 2.1 15.6 1.0 O B:HOH990 2.1 19.1 1.0 CD B:GLU678 2.6 20.5 1.0 OE2 B:GLU678 2.7 18.0 1.0 CD A:GLU431 2.9 10.9 1.0 CE1 A:HIS435 3.0 20.2 1.0 CD2 A:HIS435 3.1 14.2 1.0 OE2 A:GLU431 3.3 11.7 1.0 CD2 A:LEU753 3.9 8.8 1.0 CG B:GLU678 4.1 18.9 1.0 ND1 A:HIS435 4.1 18.3 1.0 CG A:HIS435 4.2 16.1 1.0 CG A:GLU431 4.3 7.6 1.0 N B:SER680 4.3 13.8 1.0 CB A:GLU431 4.6 6.1 1.0 O B:ALA677 4.7 14.1 1.0 CB B:GLU678 4.8 18.3 1.0 CB B:SER680 4.9 12.4 1.0 CD A:LYS434 4.9 22.9 1.0 CA B:GLU678 5.0 16.6 1.0 CA B:SER680 5.0 11.9 1.0

Zinc binding site 2 out of 5 in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn801 b:19.2 occ:1.00 NE2 B:HIS412 2.0 15.9 1.0 OE2 B:GLU419 2.1 19.8 1.0 O B:HOH983 2.2 19.3 1.0 CD B:GLU419 2.9 20.6 1.0 CE1 B:HIS412 3.0 19.1 1.0 OE1 B:GLU419 3.0 15.9 1.0 CD2 B:HIS412 3.0 16.8 1.0 NZ B:LYS409 4.0 16.7 1.0 ND1 B:HIS412 4.1 20.2 1.0 CD B:LYS409 4.1 15.7 1.0 CG B:HIS412 4.1 17.2 1.0 O B:GLU419 4.3 16.1 1.0 CG B:GLU419 4.3 20.9 1.0 CD2 B:LEU415 4.7 28.6 1.0 CE B:LYS409 4.7 15.8 1.0

Zinc binding site 3 out of 5 in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn802 b:18.6 occ:1.00 NE2 B:HIS435 2.0 13.6 1.0 O B:HOH998 2.1 20.9 1.0 OE1 B:GLU431 2.1 16.9 1.0 CD B:GLU431 3.0 12.2 1.0 CE1 B:HIS435 3.0 19.9 1.0 CD2 B:HIS435 3.0 13.5 1.0 OE2 B:GLU431 3.2 13.2 1.0 CD2 B:LEU753 3.5 8.3 1.0 NZ B:LYS434 3.9 17.6 1.0 CE B:LYS434 3.9 18.9 1.0 OE1 B:GLN756 4.1 30.3 1.0 ND1 B:HIS435 4.1 18.9 1.0 CG B:HIS435 4.2 15.3 1.0 CG B:GLU431 4.3 9.1 1.0 CB B:GLU431 4.7 7.5 1.0

Zinc binding site 4 out of 5 in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn801 b:26.8 occ:1.00 OD2 C:ASP454 2.2 18.5 1.0 OD1 C:ASP454 2.8 21.4 1.0 CG C:ASP454 2.8 21.8 1.0 OD2 C:ASP456 4.0 40.4 1.0 CB C:ASP454 4.3 20.2 1.0 CB C:ASP456 4.6 35.3 1.0 CG C:ASP456 4.8 38.4 1.0

Zinc binding site 5 out of 5 in the Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structures of GLUR2 Ligand-Binding-Domain in Complex with Glutamate and Positive Allosteric Modulators within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn802 b:48.8 occ:1.00 OE1 C:GLU431 2.3 25.8 1.0 NE2 C:HIS435 2.4 27.8 1.0 CD C:GLU431 3.3 23.0 1.0 CD2 C:HIS435 3.3 26.3 1.0 CE1 C:HIS435 3.4 29.5 1.0 OE2 C:GLU431 3.7 25.7 1.0 NZ C:LYS434 3.7 33.2 1.0 CD2 C:LEU753 3.8 14.4 1.0 CE C:LYS434 3.8 31.8 1.0 OE1 C:GLN756 3.8 30.4 1.0 CG C:HIS435 4.5 26.6 1.0 ND1 C:HIS435 4.5 29.1 1.0 CG C:GLU431 4.6 17.3 1.0 CD C:GLN756 4.7 30.3 1.0 CB C:GLU431 4.8 15.9 1.0 NE2 C:GLN756 4.8 33.2 1.0

N.C.Patel, J.Schwarz, X.J.Hou, D.J.Hoover, L.Xie, A.J.Fliri, R.J.Gallaschun, J.T.Lazzaro, D.K.Bryce, W.E.Hoffmann, A.N.Hanks, D.Mcginnis, E.S.Marr, J.L.Gazard, M.Hajos, R.J.Scialis, R.S.Hurst, C.L.Shaffer, J.Pandit, C.J.O'donnell. Discovery and Characterization of A Novel Dihydroisoxazole Class of Alpha-Amino-3-Hydroxy-5-Methyl-4-Isoxazolepropionic Acid (Ampa) Receptor Potentiators. J.Med.Chem. V. 56 9180 2013.
ISSN: ISSN 0022-2623
PubMed: 24215237
DOI: 10.1021/JM401274B