Magnesium in PDB 6cz1: Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008

All present enzymatic activity of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008:
3.6.4.10;

The structure of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008, PDB code: 6cz1 was solved by T.Antoshchenko, Y.Chen, S.Hughes, H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.60 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.280, 74.920, 86.200, 90.00, 98.52, 90.00
R / Rfree (%)	18.7 / 21.8

The structure of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 (pdb code 6cz1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008, PDB code: 6cz1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:45.7 occ:1.00 O A:HOH715 1.9 30.7 1.0 O A:HOH642 2.1 20.8 1.0 O A:HOH701 2.2 27.6 1.0 O A:HOH647 2.2 20.1 1.0 OD2 A:ASP34 3.8 15.3 1.0 OD2 A:ASP224 4.0 25.0 1.0 O A:HOH748 4.1 23.8 1.0 O A:HOH743 4.1 31.2 1.0 OD1 A:ASP34 4.2 15.4 1.0 OD1 A:ASP224 4.2 21.8 1.0 CG A:ASP34 4.4 16.8 1.0 OE1 A:GLU201 4.5 18.0 1.0 O A:HOH806 4.5 13.2 1.0 CG A:ASP224 4.5 23.4 1.0 O A:HOH757 4.7 15.3 1.0 O A:HOH705 4.8 22.7 1.0 CG1 A:VAL362 4.9 24.4 1.0 CD A:GLU201 5.0 19.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Atpase Domain of Human GRP78 Bound to VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:50.5 occ:1.00 O B:HOH604 1.9 24.6 1.0 O B:HOH694 1.9 39.9 1.0 O B:HOH689 2.9 25.0 1.0 O B:HOH608 3.3 26.1 1.0 OD2 B:ASP224 3.4 26.0 1.0 CG2 B:VAL394 3.6 17.6 1.0 OD2 B:ASP34 3.7 22.0 1.0 OE1 B:GLU201 3.7 23.2 1.0 OD1 B:ASP34 3.9 22.2 1.0 CB B:VAL394 4.0 17.9 1.0 O B:HOH737 4.1 17.8 1.0 CG B:ASP34 4.1 19.5 1.0 CD B:GLU201 4.2 26.4 1.0 CG1 B:VAL394 4.3 17.8 1.0 CG B:ASP224 4.3 25.2 1.0 CG B:GLU201 4.3 18.0 1.0 OD1 B:ASP224 4.4 23.8 1.0 CB B:GLU201 4.5 15.6 1.0

T.Antoshchenko, Y.Chen, H.Park. Crystallographic Selection of Adenosine Analogs That Fit the Mold of the Active Site of Human GRP78 and Beyond To Be Published.