Zinc in PDB 1lbc: Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution

The structure of Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution, PDB code: 1lbc was solved by Y.Sun, R.Olson, M.Horning, N.Armstrong, M.Mayer, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.859, 162.571, 47.198, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24.3

The structure of Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution (pdb code 1lbc). 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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution, PDB code: 1lbc:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution


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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn321 b:20.0 occ:1.00 OE2 B:GLU166 2.1 21.4 1.0 OE1 A:GLU42 2.1 20.3 1.0 NE2 A:HIS46 2.2 22.2 1.0 OE1 B:GLU166 2.6 19.6 1.0 CD B:GLU166 2.6 20.7 1.0 O A:HOH404 2.7 31.8 1.0 CD A:GLU42 3.0 20.7 1.0 CE1 A:HIS46 3.2 22.4 1.0 CD2 A:HIS46 3.2 22.0 1.0 OE2 A:GLU42 3.3 19.1 1.0 CD2 A:LEU241 3.8 16.6 1.0 CG B:GLU166 4.1 20.6 1.0 ND1 A:HIS46 4.3 21.3 1.0 N B:SER168 4.3 16.4 1.0 CG A:HIS46 4.3 20.7 1.0 CG A:GLU42 4.3 16.8 1.0 O B:ALA165 4.5 14.1 1.0 CB A:GLU42 4.7 13.5 1.0 CB B:GLU166 4.7 18.3 1.0 CB B:SER168 4.8 16.9 1.0 CA B:SER168 4.9 16.3 1.0 C B:PRO167 4.9 16.9 1.0 CA B:PRO167 4.9 17.5 1.0 CA B:GLU166 4.9 17.5 1.0

Zinc binding site 2 out of 5 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution


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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn322 b:18.2 occ:1.00 NE2 B:HIS23 2.1 14.1 1.0 O B:HOH432 2.2 23.6 1.0 OE2 B:GLU30 2.5 28.8 1.0 OE1 B:GLU30 2.9 30.1 1.0 CD2 B:HIS23 3.0 17.1 1.0 CD B:GLU30 3.1 25.4 1.0 CE1 B:HIS23 3.2 13.8 1.0 NZ B:LYS20 4.0 17.2 1.0 CD B:LYS20 4.1 20.6 1.0 CG B:HIS23 4.2 14.8 1.0 ND1 B:HIS23 4.3 12.0 1.0 O B:GLU30 4.3 17.4 1.0 CG B:GLU30 4.6 28.6 1.0 CE B:LYS20 4.7 18.8 1.0

Zinc binding site 3 out of 5 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution


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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn324 b:16.8 occ:1.00 OE1 B:GLU42 2.1 15.3 1.0 NE2 B:HIS46 2.1 16.6 1.0 CD B:GLU42 2.9 14.7 1.0 CD2 B:HIS46 3.0 15.9 1.0 CE1 B:HIS46 3.2 18.8 1.0 OE2 B:GLU42 3.2 16.6 1.0 NE2 B:GLN244 3.6 34.5 1.0 CD2 B:LEU241 3.7 12.1 1.0 CE B:LYS45 3.9 22.8 1.0 NZ B:LYS45 4.1 21.1 1.0 CG B:HIS46 4.2 17.6 1.0 ND1 B:HIS46 4.2 18.3 1.0 CG B:GLU42 4.3 14.5 1.0 OE1 B:GLN244 4.5 35.1 1.0 CD B:GLN244 4.5 33.2 1.0 CB B:GLU42 4.7 11.4 1.0

Zinc binding site 4 out of 5 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution


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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn323 b:24.9 occ:1.00 OD2 C:ASP65 2.2 18.0 1.0 OD1 C:ASP65 2.7 23.6 1.0 CG C:ASP65 2.8 22.5 1.0 OD2 C:ASP67 4.1 31.3 1.0 CB C:ASP65 4.3 20.8 1.0 CB C:ASP67 4.5 29.2 1.0 CG C:ASP67 4.8 28.9 1.0 CG2 C:THR68 4.9 27.8 1.0

Zinc binding site 5 out of 5 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution


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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn325 b:71.7 occ:1.00 OE1 C:GLU42 2.5 27.5 1.0 CE1 C:HIS46 2.7 37.7 1.0 NE2 C:HIS46 3.6 36.7 1.0 CD C:GLU42 3.6 27.3 1.0 OE1 C:GLN244 3.6 37.5 1.0 ND1 C:HIS46 3.7 36.5 1.0 CD2 C:LEU241 3.9 18.4 1.0 OE2 C:GLU42 4.0 29.4 1.0 CD C:GLN244 4.6 34.2 1.0 CG C:GLU42 4.8 23.4 1.0 CD2 C:HIS46 4.8 36.9 1.0 CG C:HIS46 4.8 35.9 1.0 CD C:LYS45 4.9 39.3 1.0 NE2 C:GLN244 4.9 36.5 1.0 CB C:GLU42 5.0 20.4 1.0

Y.Sun, R.Olson, M.Horning, N.Armstrong, M.Mayer, E.Gouaux. Mechanism of Glutamate Receptor Desensitization. Nature V. 417 245 2002.
ISSN: ISSN 0028-0836
PubMed: 12015593
DOI: 10.1038/417245A