Zinc in PDB 1mxu: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments), PDB code: 1mxu was solved by R.Jin, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.37 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.292, 163.403, 48.072, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 23.4

The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) also contains other interesting chemical elements:

Bromine

(Br)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) (pdb code 1mxu). 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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments), PDB code: 1mxu:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:21.4 occ:1.00 OE1 A:GLU42 2.1 19.2 1.0 OE2 B:GLU166 2.1 21.6 1.0 NE2 A:HIS46 2.2 18.7 1.0 CD B:GLU166 2.8 22.5 1.0 OE1 B:GLU166 2.8 22.9 1.0 CD A:GLU42 3.0 20.5 1.0 CD2 A:HIS46 3.1 18.7 1.0 CE1 A:HIS46 3.2 20.9 1.0 OE2 A:GLU42 3.3 19.8 1.0 O B:HOH815 3.3 8.5 1.0 CG A:HIS46 4.2 18.3 1.0 CG B:GLU166 4.2 22.0 1.0 CD2 A:LEU241 4.3 21.9 1.0 ND1 A:HIS46 4.3 19.6 1.0 N B:SER168 4.3 15.2 1.0 CG A:GLU42 4.3 16.5 1.0 O B:ALA165 4.6 18.0 1.0 CB A:GLU42 4.7 14.5 1.0 CB B:SER168 4.7 15.4 1.0 CB B:GLU166 4.8 20.9 1.0 CA B:SER168 4.8 15.5 1.0 C B:PRO167 5.0 17.3 1.0 CA B:GLU166 5.0 20.0 1.0

Zinc binding site 2 out of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:30.7 occ:1.00 NE2 B:HIS23 2.2 24.6 1.0 OE2 B:GLU30 2.7 33.7 1.0 O B:HOH885 2.7 29.1 1.0 OE1 B:GLU30 2.7 35.0 1.0 CD2 B:HIS23 3.0 24.5 1.0 CD B:GLU30 3.0 30.3 1.0 CE1 B:HIS23 3.3 24.0 1.0 CD B:LYS20 3.9 21.6 1.0 NZ B:LYS20 4.0 21.4 1.0 CG B:HIS23 4.2 24.7 1.0 ND1 B:HIS23 4.3 23.5 1.0 O B:GLU30 4.3 21.1 1.0 CG B:GLU30 4.6 31.6 1.0 CE B:LYS20 4.6 21.8 1.0 CD1 B:LEU26 4.8 38.8 1.0

Zinc binding site 3 out of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn704 b:21.3 occ:1.00 OE1 B:GLU42 2.1 18.4 1.0 NE2 B:HIS46 2.1 15.7 1.0 O B:HOH772 2.2 19.8 1.0 CD B:GLU42 3.0 19.1 1.0 CD2 B:HIS46 3.0 16.6 1.0 CE1 B:HIS46 3.1 18.4 1.0 OE2 B:GLU42 3.2 19.2 1.0 CD2 B:LEU241 3.7 17.1 1.0 OE1 B:GLN244 3.8 33.5 1.0 CG B:HIS46 4.2 15.9 1.0 ND1 B:HIS46 4.2 17.8 1.0 CG B:GLU42 4.3 15.6 1.0 NE2 B:GLN244 4.5 30.4 1.0 CD B:GLN244 4.5 30.1 1.0 CD1 B:LEU246 4.7 28.6 1.0 CB B:GLU42 4.7 13.4 1.0

Zinc binding site 4 out of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn703 b:28.0 occ:1.00 OD2 C:ASP65 2.2 28.0 1.0 O C:HOH818 2.3 33.5 1.0 OD1 C:ASP65 2.7 29.6 1.0 CG C:ASP65 2.8 30.9 1.0 OD2 C:ASP67 3.7 41.9 1.0 CB C:ASP65 4.3 29.8 1.0 CB C:ASP67 4.4 37.9 1.0 CG C:ASP67 4.5 39.7 1.0 CG2 C:THR68 4.9 31.7 1.0 N C:ASP67 5.0 35.6 1.0

Zinc binding site 5 out of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments)


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 GLUR2 Ligand Binding Core (S1S2J) in Complex with Bromo-Willardiine (Control For the Crystal Titration Experiments) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn705 b:58.8 occ:1.00 NE2 C:HIS46 2.4 37.2 1.0 OE1 C:GLU42 2.5 35.7 1.0 CD2 C:HIS46 3.3 36.7 1.0 CE1 C:HIS46 3.4 37.6 1.0 CD C:GLU42 3.5 35.6 1.0 OE2 C:GLU42 3.9 35.9 1.0 CD2 C:LEU241 4.1 21.9 1.0 OE1 C:GLN244 4.1 41.9 1.0 CG C:HIS46 4.4 36.4 1.0 ND1 C:HIS46 4.5 37.9 1.0 CD C:LYS45 4.8 39.0 1.0 CG C:GLU42 4.8 33.3 1.0 NE2 C:GLN244 4.9 40.8 1.0 CD C:GLN244 4.9 40.4 1.0 O C:HOH853 5.0 60.9 1.0 CB C:GLU42 5.0 29.1 1.0

R.Jin, E.Gouaux. Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GLUR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GLUR2 S1S2 in the Crystal Biochemistry V. 42 5201 2003.
ISSN: ISSN 0006-2960
PubMed: 12731861
DOI: 10.1021/BI020632T