Magnesium in PDB 4bev: Atpase Crystal Structure with Bound Phosphate Analogue

The structure of Atpase Crystal Structure with Bound Phosphate Analogue, PDB code: 4bev was solved by D.Mattle, N.D.Drachmann, X.Y.Liu, P.Gourdon, B.P.Pedersen, P.Morth, J.Wang, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.453 / 3.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.360, 72.650, 328.790, 90.00, 90.00, 90.00
R / Rfree (%)	27 / 31.51

The structure of Atpase Crystal Structure with Bound Phosphate Analogue also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Atpase Crystal Structure with Bound Phosphate Analogue (pdb code 4bev). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Atpase Crystal Structure with Bound Phosphate Analogue, PDB code: 4bev:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Atpase Crystal Structure with Bound Phosphate Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atpase Crystal Structure with Bound Phosphate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:0.9 occ:1.00 O A:HOH2002 1.9 0.4 1.0 OD2 A:ASP426 2.0 0.3 1.0 OD1 A:ASP624 2.2 1.0 1.0 O A:THR428 2.2 0.8 1.0 F2 A:MGF950 2.8 0.3 1.0 CG A:ASP624 3.2 0.1 1.0 CG A:ASP426 3.2 0.6 1.0 F3 A:MGF950 3.3 0.5 1.0 C A:THR428 3.4 0.1 1.0 OD2 A:ASP624 3.5 0.7 1.0 MG A:MGF950 3.7 0.6 1.0 OD2 A:ASP628 3.9 0.1 1.0 OD1 A:ASP426 3.9 0.2 1.0 N A:GLY625 4.0 0.7 1.0 CA A:THR428 4.2 0.7 1.0 CB A:THR428 4.3 0.4 1.0 CB A:ASP426 4.3 0.5 1.0 CA A:GLY625 4.4 0.1 1.0 N A:THR428 4.4 0.9 1.0 N A:GLY429 4.4 0.6 1.0 N A:ASP624 4.4 0.2 1.0 CB A:ASP624 4.5 1.0 1.0 C A:ASP624 4.5 0.3 1.0 CA A:GLY429 4.5 0.8 1.0 O A:GLY278 4.6 0.6 1.0 CA A:ASP624 4.7 0.4 1.0 O A:HOH2001 4.8 0.4 1.0 CG A:ASP628 4.9 0.1 1.0 CG2 A:THR430 5.0 0.8 1.0

Magnesium binding site 2 out of 2 in the Atpase Crystal Structure with Bound Phosphate Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Atpase Crystal Structure with Bound Phosphate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg950 b:0.6 occ:1.00 MG A:MGF950 0.0 0.6 1.0 F1 A:MGF950 1.8 0.0 1.0 O A:HOH2001 1.8 0.4 1.0 F3 A:MGF950 1.8 0.5 1.0 F2 A:MGF950 1.8 0.3 1.0 OD1 A:ASP426 2.6 0.2 1.0 OD2 A:ASP426 3.2 0.3 1.0 CG A:ASP426 3.3 0.6 1.0 MG A:MG900 3.7 0.9 1.0 OG1 A:THR577 3.7 0.2 1.0 N A:GLY578 3.8 0.7 1.0 O A:THR277 3.9 0.7 1.0 N A:THR428 3.9 0.9 1.0 N A:LYS427 4.2 0.8 1.0 CB A:THR428 4.2 0.4 1.0 OG1 A:THR428 4.3 0.2 1.0 O A:HOH2002 4.3 0.4 1.0 CA A:THR577 4.3 0.9 1.0 CB A:THR577 4.4 0.2 1.0 O A:THR428 4.4 0.8 1.0 ND2 A:ASN627 4.5 0.8 1.0 CA A:THR428 4.6 0.7 1.0 C A:THR577 4.6 0.0 1.0 CB A:ASP426 4.7 0.5 1.0 CA A:GLY578 4.7 0.8 1.0 OE2 A:GLU279 4.8 0.1 1.0 CB A:LYS427 4.8 0.3 1.0 CA A:LYS427 4.8 0.3 1.0 C A:LYS427 4.9 0.1 1.0 N A:ASP579 5.0 0.3 1.0

D.Mattle, N.D.Drachmann, X.Y.Liu, P.Gourdon, B.P.Pedersen, P.Morth, J.Wang, P.Nissen. Atpase Crystal Structure with Bound Phosphate Analogue To Be Published.