Zinc in PDB 1mxx: Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)

The structure of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw), PDB code: 1mxx 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)	29.89 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.538, 163.761, 48.042, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25

The binding sites of Zinc atom in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) (pdb code 1mxx). 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 Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw), PDB code: 1mxx:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:32.1 occ:1.00 OE2 B:GLU166 2.0 30.8 1.0 OE1 A:GLU42 2.1 29.9 1.0 NE2 A:HIS46 2.2 34.6 1.0 OE1 B:GLU166 2.6 30.6 1.0 CD B:GLU166 2.6 31.8 1.0 CD A:GLU42 3.0 29.0 1.0 CD2 A:HIS46 3.1 34.2 1.0 CE1 A:HIS46 3.2 36.0 1.0 OE2 A:GLU42 3.3 28.8 1.0 O B:HOH815 3.4 19.8 1.0 CG B:GLU166 4.1 29.9 1.0 CG A:HIS46 4.3 34.8 1.0 ND1 A:HIS46 4.3 34.1 1.0 CD2 A:LEU241 4.3 29.0 1.0 N B:SER168 4.3 23.6 1.0 CG A:GLU42 4.3 26.0 1.0 O B:ALA165 4.7 29.8 1.0 CB B:SER168 4.7 24.1 1.0 CB B:GLU166 4.7 31.2 1.0 CB A:GLU42 4.8 20.8 1.0 CA B:SER168 4.8 24.1 1.0 C B:PRO167 4.9 26.0 1.0 CA B:GLU166 5.0 31.0 1.0

Zinc binding site 2 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:41.3 occ:1.00 NE2 B:HIS23 2.1 32.8 1.0 O B:HOH884 2.3 34.8 1.0 OE2 B:GLU30 2.6 40.4 1.0 OE1 B:GLU30 2.7 43.4 1.0 CD2 B:HIS23 3.0 30.8 1.0 CD B:GLU30 3.1 38.7 1.0 CE1 B:HIS23 3.2 30.3 1.0 CD B:LYS20 4.0 35.2 1.0 NZ B:LYS20 4.1 36.7 1.0 CG B:HIS23 4.2 31.4 1.0 ND1 B:HIS23 4.3 30.9 1.0 O B:GLU30 4.3 32.1 1.0 CG B:GLU30 4.6 40.2 1.0 CD1 B:LEU26 4.6 49.8 1.0 CE B:LYS20 4.7 36.9 1.0

Zinc binding site 3 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn704 b:34.9 occ:1.00 NE2 B:HIS46 2.1 29.2 1.0 OE1 B:GLU42 2.2 29.2 1.0 O B:HOH772 2.4 36.1 1.0 CD2 B:HIS46 2.9 29.9 1.0 CD B:GLU42 3.1 29.8 1.0 CE1 B:HIS46 3.1 31.8 1.0 OE2 B:GLU42 3.4 32.3 1.0 CD2 B:LEU241 3.7 25.4 1.0 OE1 B:GLN244 3.8 48.5 1.0 CG B:HIS46 4.1 28.3 1.0 ND1 B:HIS46 4.2 32.6 1.0 CG B:GLU42 4.4 27.4 1.0 CD B:GLN244 4.7 46.0 1.0 CB B:GLU42 4.8 24.8 1.0 NE2 B:GLN244 5.0 46.5 1.0

Zinc binding site 4 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn703 b:42.3 occ:1.00 OD2 C:ASP65 2.2 34.8 1.0 O C:HOH821 2.5 49.4 1.0 OD1 C:ASP65 2.8 35.2 1.0 CG C:ASP65 2.8 35.7 1.0 OD2 C:ASP67 4.0 51.0 1.0 CB C:ASP67 4.3 47.0 1.0 CB C:ASP65 4.3 34.6 1.0 CG C:ASP67 4.7 49.6 1.0 CG2 C:THR68 4.8 41.9 1.0 N C:ASP67 5.0 44.9 1.0

Zinc binding site 5 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 100 Um Brw) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn705 b:81.2 occ:1.00 OE1 C:GLU42 2.6 45.3 1.0 NE2 C:HIS46 2.7 52.9 1.0 CE1 C:HIS46 3.6 53.3 1.0 CD C:GLU42 3.7 44.2 1.0 CD2 C:HIS46 3.7 51.7 1.0 OE2 C:GLU42 4.1 48.4 1.0 OE1 C:GLN244 4.2 55.4 1.0 CD2 C:LEU241 4.3 33.5 1.0 NE2 C:GLN244 4.7 54.2 1.0 ND1 C:HIS46 4.7 52.8 1.0 CG C:HIS46 4.8 51.4 1.0 CD C:GLN244 4.9 53.4 1.0 CG C:GLU42 4.9 40.7 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