Zinc in PDB 1nnk: X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions.

The structure of X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions., PDB code: 1nnk was solved by M.-L.Lunn, A.Hogner, T.B.Stensbol, E.Gouaux, J.Egebjerg, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.258, 111.229, 46.643, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.5

The structure of X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions. also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions. (pdb code 1nnk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions., PDB code: 1nnk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn451 b:37.7 occ:1.00 OE1 A:GLU163 2.2 26.2 1.0 OE2 A:GLU163 2.5 26.6 1.0 CD A:GLU163 2.6 31.0 1.0 CL A:CL453 3.2 38.5 1.0 N A:SER165 3.9 17.0 1.0 CG A:GLU163 4.2 28.9 1.0 CB A:SER165 4.2 22.7 1.0 CA A:SER165 4.4 18.4 1.0 O A:ALA162 4.6 17.1 1.0 C A:PRO164 4.7 21.0 1.0 CA A:PRO164 4.8 29.7 1.0 CB A:GLU163 4.8 30.3 1.0 CA A:GLU163 4.9 27.1 1.0

Zinc binding site 2 out of 2 in the X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of the GLUR2 Ligand-Binding Core (S1S2J) in Complex with (S)-Atpa at 1.85 A Resolution. Crystallization with Zinc Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn452 b:35.9 occ:1.00 NE2 A:HIS43 1.9 25.5 1.0 OE1 A:GLU39 2.1 41.3 1.0 O A:HOH595 2.3 36.5 1.0 CD2 A:HIS43 2.8 21.3 1.0 CE1 A:HIS43 2.9 33.0 1.0 CD A:GLU39 3.1 34.9 1.0 OE2 A:GLU39 3.4 47.5 1.0 CE A:LYS42 3.9 47.7 1.0 CG A:HIS43 4.0 32.4 1.0 ND1 A:HIS43 4.0 35.9 1.0 CG A:GLU39 4.4 26.6 1.0 CD2 A:LEU238 4.6 28.7 1.0 NZ A:LYS42 4.6 56.3 1.0 CB A:GLU39 4.7 17.4 1.0 O A:HOH549 4.8 72.6 1.0 CD A:LYS42 4.8 44.7 1.0

M.L.Lunn, A.Hogner, T.B.Stensbol, E.Gouaux, J.Egebjerg, J.S.Kastrup. Three-Dimensional Structure of the Ligand-Binding Core of GLUR2 in Complex with the Agonist (S)-Atpa: Implications For Receptor Subunit Selectivity. J.Med.Chem. V. 46 872 2003.
ISSN: ISSN 0022-2623
PubMed: 12593667
DOI: 10.1021/JM021020+