Zinc in PDB 4lz5: 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: 4lz5 was solved by J.Pandit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.07 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.751, 164.541, 47.460, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.3

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 4lz5). 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: 4lz5:
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 B:Zn801 b:14.9 occ:1.00 OE1 B:GLU678 1.6 15.7 1.0 OE1 A:GLU431 2.0 11.4 1.0 NE2 A:HIS435 2.1 13.3 1.0 O B:HOH1359 2.1 18.0 1.0 CD B:GLU678 2.6 15.1 1.0 OE2 B:GLU678 2.7 16.3 1.0 CD A:GLU431 3.0 14.2 1.0 CD2 A:HIS435 3.0 14.7 1.0 CE1 A:HIS435 3.1 19.2 1.0 OE2 A:GLU431 3.2 14.9 1.0 O B:HOH1290 3.8 40.9 1.0 CD2 A:LEU753 4.0 16.0 1.0 CG B:GLU678 4.1 15.1 1.0 ND1 A:HIS435 4.2 14.4 1.0 CG A:HIS435 4.2 13.2 1.0 N B:SER680 4.3 13.4 1.0 CG A:GLU431 4.3 10.3 1.0 O B:ALA677 4.6 13.0 1.0 CB B:GLU678 4.7 15.6 1.0 CB A:GLU431 4.7 9.9 1.0 CA B:GLU678 4.9 14.3 1.0 CA B:SER680 4.9 11.2 1.0 CB B:SER680 4.9 11.7 1.0 CA B:PRO679 4.9 13.1 1.0 C B:PRO679 5.0 12.9 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:Zn802 b:18.8 occ:1.00 NE2 B:HIS412 2.0 16.3 1.0 OE2 B:GLU419 2.0 17.9 1.0 O B:HOH1219 2.1 30.0 1.0 CD B:GLU419 2.7 14.4 1.0 OE1 B:GLU419 2.9 18.3 1.0 CD2 B:HIS412 3.0 15.3 1.0 CE1 B:HIS412 3.0 14.4 1.0 CD B:LYS409 4.1 16.5 1.0 ND1 B:HIS412 4.1 15.0 1.0 NZ B:LYS409 4.1 18.6 1.0 CG B:HIS412 4.1 14.5 1.0 CG B:GLU419 4.2 21.0 1.0 O B:GLU419 4.3 15.5 1.0 CD2 B:LEU415 4.6 29.2 1.0 CE B:LYS409 4.7 16.2 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:Zn803 b:14.7 occ:1.00 OE1 B:GLU431 1.9 12.8 1.0 NE2 B:HIS435 1.9 13.3 1.0 O B:HOH1360 2.1 20.3 1.0 CD B:GLU431 2.9 10.9 1.0 CE1 B:HIS435 2.9 12.5 1.0 CD2 B:HIS435 3.0 11.1 1.0 OE2 B:GLU431 3.2 18.8 1.0 OE1 B:GLN756 3.6 23.1 1.0 CD2 B:LEU753 3.7 11.9 1.0 CE B:LYS434 3.9 17.2 1.0 NZ B:LYS434 3.9 15.0 1.0 O B:HOH1081 4.0 28.7 1.0 ND1 B:HIS435 4.1 16.5 1.0 CG B:HIS435 4.1 13.1 1.0 CG B:GLU431 4.2 11.5 1.0 NE2 B:GLN756 4.4 23.9 1.0 CD B:GLN756 4.4 22.3 1.0 CB B:GLU431 4.6 9.3 1.0 O B:HOH1134 5.0 31.9 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:19.4 occ:1.00 O C:HOH1241 1.4 25.9 1.0 O C:HOH1242 1.9 31.1 1.0 OD2 C:ASP454 2.0 13.5 1.0 CG C:ASP454 2.7 19.3 1.0 OD1 C:ASP454 3.0 22.5 1.0 O C:HOH1215 3.7 45.1 1.0 O C:HOH1167 4.0 37.4 1.0 O C:HOH1212 4.1 47.2 1.0 CB C:ASP454 4.2 15.3 1.0 OD2 C:ASP456 4.2 37.0 1.0 CB C:ASP456 4.7 24.4 1.0 O C:HOH1146 4.7 37.0 1.0 CG2 C:THR457 4.9 24.3 1.0 CG C:ASP456 5.0 30.9 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:34.2 occ:1.00 OE1 C:GLU431 2.1 23.1 1.0 NE2 C:HIS435 2.2 32.4 1.0 O C:HOH1139 2.6 45.9 1.0 CD2 C:HIS435 3.1 29.1 1.0 CD C:GLU431 3.1 26.0 1.0 CE1 C:HIS435 3.2 31.4 1.0 OE2 C:GLU431 3.5 29.4 1.0 CE C:LYS434 3.7 38.9 1.0 NZ C:LYS434 3.8 43.3 1.0 CD2 C:LEU753 3.9 15.9 1.0 OE1 C:GLN756 4.0 31.1 1.0 CG C:HIS435 4.3 24.1 1.0 ND1 C:HIS435 4.3 28.0 1.0 CG C:GLU431 4.4 17.8 1.0 CB C:GLU431 4.7 14.6 1.0 NE2 C:GLN756 4.7 33.9 1.0 CD C:GLN756 4.8 26.5 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