Zinc in PDB 3ilu: Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide

The structure of Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide, PDB code: 3ilu was solved by A.H.Ahmed, C.P.Ptak, R.E.Oswald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.64 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.289, 114.194, 163.732, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.6

The structure of Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Zinc atom in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide (pdb code 3ilu). 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 Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide, PDB code: 3ilu:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn262 b:48.4 occ:1.00 NE2 B:HIS46 1.7 31.6 1.0 OE1 H:GLU166 1.9 29.8 1.0 OE1 B:GLU42 2.0 0.0 1.0 CD H:GLU166 2.5 31.4 1.0 OE2 H:GLU166 2.5 31.6 1.0 CD2 B:HIS46 2.7 30.1 1.0 CE1 B:HIS46 2.7 34.8 1.0 CD B:GLU42 3.2 32.5 1.0 O H:HOH263 3.5 12.8 1.0 CD2 B:LEU241 3.7 27.0 1.0 ND1 B:HIS46 3.8 28.0 1.0 CG B:HIS46 3.8 29.7 1.0 OE2 B:GLU42 3.8 49.6 1.0 CG H:GLU166 4.0 28.4 1.0 CG B:GLU42 4.4 33.7 1.0 CB B:GLU42 4.6 30.1 1.0 CD B:LYS45 4.6 39.5 1.0 CB H:GLU166 4.7 30.7 1.0 N H:SER168 4.8 27.3 1.0 O H:ALA165 4.9 22.2 1.0 O H:HOH390 5.0 32.9 1.0

Zinc binding site 2 out of 5 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn1 b:6.5 occ:1.00 OD2 E:ASP65 2.1 30.2 1.0 CG E:ASP65 2.8 33.0 1.0 OD1 E:ASP65 2.8 33.8 1.0 OD2 E:ASP67 3.5 61.2 1.0 CB E:ASP67 4.1 41.5 1.0 CG E:ASP67 4.1 51.8 1.0 CB E:ASP65 4.2 28.7 1.0 N E:ASP67 4.9 39.7 1.0

Zinc binding site 3 out of 5 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn3 b:35.5 occ:1.00 CE1 E:HIS46 2.5 41.8 1.0 O E:HOH422 2.6 44.5 1.0 NE2 E:HIS46 2.9 40.0 1.0 OE1 E:GLU42 3.7 39.3 1.0 ND1 E:HIS46 3.7 44.5 1.0 CD2 E:HIS46 4.2 38.5 1.0 CG E:HIS46 4.6 40.9 1.0 CD E:GLU42 4.7 45.9 1.0 OE2 E:GLU42 4.8 51.3 1.0 CG E:LYS240 5.0 36.5 1.0

Zinc binding site 4 out of 5 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn262 b:41.5 occ:1.00 OE2 E:GLU24 1.3 4.6 1.0 NE2 E:HIS23 2.0 53.2 1.0 CD E:GLU24 2.4 35.6 1.0 CD2 E:HIS23 2.4 39.8 1.0 OE1 E:GLU24 3.0 36.2 1.0 CE1 E:HIS23 3.2 52.8 1.0 CG E:GLU24 3.6 50.0 1.0 CG E:HIS23 3.6 41.6 1.0 ND1 E:HIS23 4.0 53.4 1.0 CE E:MET19 4.7 47.9 1.0 CB E:HIS23 4.9 54.2 1.0 CB E:GLU24 4.9 52.8 1.0

Zinc binding site 5 out of 5 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Hydroflumethiazide within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn2 b:30.9 occ:1.00 NE2 H:HIS46 3.0 28.4 1.0 CE1 H:HIS46 3.1 32.8 1.0 O H:HOH422 3.3 44.0 1.0 OE1 H:GLN244 3.3 43.4 1.0 OE1 H:GLU42 3.4 4.7 1.0 CD H:GLN244 4.2 40.2 1.0 CD H:GLU42 4.2 29.2 1.0 NE2 H:GLN244 4.2 47.7 1.0 O H:HOH459 4.3 42.6 1.0 CD2 H:HIS46 4.3 28.3 1.0 OE2 H:GLU42 4.4 46.5 1.0 ND1 H:HIS46 4.4 30.1 1.0

C.P.Ptak, A.H.Ahmed, R.E.Oswald. Probing the Allosteric Modulator Binding Site of GLUR2 with Thiazide Derivatives Biochemistry V. 48 8594 2009.
ISSN: ISSN 0006-2960
PubMed: 19673491
DOI: 10.1021/BI901127S