Magnesium in PDB 1w0k: Adp Inhibited Bovine F1-Atpase

All present enzymatic activity of Adp Inhibited Bovine F1-Atpase:
3.6.3.14;

The structure of Adp Inhibited Bovine F1-Atpase, PDB code: 1w0k was solved by R.Kagawa, M.G.Montgomery, K.Braig, J.E.Walker, A.G.W.Leslie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	283.036, 107.608, 139.644, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27.8

The binding sites of Magnesium atom in the Adp Inhibited Bovine F1-Atpase (pdb code 1w0k). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Adp Inhibited Bovine F1-Atpase, PDB code: 1w0k:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Adp Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Adp Inhibited Bovine F1-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1512 b:48.7 occ:1.00 O2B A:ADP1511 2.3 47.8 1.0 OG1 A:THR176 2.3 49.2 1.0 O A:HOH2048 2.3 37.5 1.0 O3B A:ADP1511 3.4 47.7 1.0 PB A:ADP1511 3.4 48.3 1.0 CB A:THR176 3.6 48.8 1.0 OD2 A:ASP269 4.1 53.6 1.0 N A:THR176 4.2 48.7 1.0 OD1 A:ASP269 4.3 54.1 1.0 O1B A:ADP1511 4.5 47.6 1.0 O2A A:ADP1511 4.5 47.4 1.0 CA A:THR176 4.5 49.0 1.0 CG2 A:THR176 4.5 48.6 1.0 O3A A:ADP1511 4.6 48.8 1.0 CG A:ASP269 4.6 53.2 1.0 CE A:LYS175 4.8 47.4 1.0 PA A:ADP1511 4.9 47.6 1.0 OE1 A:GLN208 4.9 56.0 1.0 O1A A:ADP1511 4.9 47.3 1.0 CB A:LYS175 5.0 48.8 1.0

Magnesium binding site 2 out of 5 in the Adp Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Adp Inhibited Bovine F1-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1512 b:43.9 occ:1.00 O2B B:ADP1511 2.3 52.9 1.0 OG1 B:THR176 2.5 53.5 1.0 O3B B:ADP1511 3.3 52.2 1.0 PB B:ADP1511 3.4 52.4 1.0 CB B:THR176 3.6 53.1 1.0 OD2 B:ASP269 4.2 51.7 1.0 O2A B:ADP1511 4.2 52.5 1.0 O1B B:ADP1511 4.3 51.2 1.0 N B:THR176 4.3 52.9 1.0 OD1 B:ASP269 4.4 51.0 1.0 CA B:THR176 4.5 53.2 1.0 CG2 B:THR176 4.6 53.1 1.0 O3A B:ADP1511 4.6 52.7 1.0 NZ B:LYS175 4.6 50.1 1.0 CG B:ASP269 4.7 50.4 1.0 PA B:ADP1511 4.9 53.2 1.0 CB B:LYS175 4.9 52.4 1.0

Magnesium binding site 3 out of 5 in the Adp Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Adp Inhibited Bovine F1-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1512 b:29.1 occ:1.00 O2B C:ADP1511 2.3 37.5 1.0 O C:HOH2017 2.3 37.0 1.0 OG1 C:THR176 2.4 40.8 1.0 O3B C:ADP1511 3.3 38.4 1.0 PB C:ADP1511 3.4 38.1 1.0 CB C:THR176 3.5 40.4 1.0 O2A C:ADP1511 3.9 39.1 1.0 N C:THR176 4.4 40.1 1.0 CG2 C:THR176 4.4 40.0 1.0 O1B C:ADP1511 4.4 38.0 1.0 OD1 C:ASP269 4.4 41.9 1.0 O3A C:ADP1511 4.5 39.1 1.0 OD2 C:ASP269 4.5 43.4 1.0 CA C:THR176 4.5 40.3 1.0 PA C:ADP1511 4.6 39.9 1.0 O1A C:ADP1511 4.8 40.1 1.0 CG C:ASP269 4.9 42.7 1.0

Magnesium binding site 4 out of 5 in the Adp Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Adp Inhibited Bovine F1-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1477 b:50.8 occ:1.00 OG1 D:THR163 2.1 48.2 1.0 O2B D:ADP1476 2.4 42.0 1.0 CB D:THR163 3.5 47.7 1.0 OE1 D:GLU188 3.6 47.2 1.0 PB D:ADP1476 3.7 42.3 1.0 O3B D:ADP1476 3.7 43.2 1.0 OD2 D:ASP256 3.8 50.4 1.0 OD1 D:ASP256 3.8 50.4 1.0 NH1 D:ARG189 3.8 42.0 1.0 CD D:GLU188 4.1 47.5 1.0 OE2 D:GLU192 4.2 49.4 1.0 O D:HOH2016 4.2 55.3 1.0 CG2 D:THR163 4.2 47.7 1.0 N D:THR163 4.2 46.9 1.0 CG D:ASP256 4.3 48.8 1.0 OE1 D:GLU192 4.3 48.9 1.0 CA D:THR163 4.4 47.6 1.0 CG D:GLU188 4.4 45.5 1.0 O1B D:ADP1476 4.6 42.0 1.0 CD D:GLU192 4.7 48.6 1.0 CE D:LYS162 4.8 44.0 1.0 O2A D:ADP1476 4.8 42.0 1.0 O3A D:ADP1476 4.8 42.1 1.0 O D:HOH2051 4.8 51.2 1.0 CB D:LYS162 4.9 45.4 1.0 OE2 D:GLU188 4.9 48.1 1.0 O1A D:ADP1476 5.0 41.9 1.0

Magnesium binding site 5 out of 5 in the Adp Inhibited Bovine F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Adp Inhibited Bovine F1-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1476 b:47.8 occ:1.00 OG1 F:THR163 2.3 45.1 1.0 O2B F:ADP1475 2.5 37.3 1.0 CB F:THR163 3.3 44.9 1.0 O3B F:ADP1475 3.5 36.0 1.0 NH1 F:ARG189 3.5 43.6 1.0 PB F:ADP1475 3.5 35.8 1.0 OE1 F:GLU188 3.6 51.0 1.0 O2A F:ADP1475 3.7 38.2 1.0 OE1 F:GLU192 3.8 52.0 1.0 CG2 F:THR163 4.2 44.9 1.0 O3A F:ADP1475 4.3 36.8 1.0 N F:THR163 4.3 44.6 1.0 PA F:ADP1475 4.4 39.3 1.0 CA F:THR163 4.4 44.8 1.0 OE2 F:GLU192 4.4 51.5 1.0 O1A F:ADP1475 4.5 38.4 1.0 CD F:GLU192 4.5 51.6 1.0 OD1 F:ASP256 4.6 46.6 1.0 CZ F:ARG189 4.6 44.3 1.0 O1B F:ADP1475 4.7 35.9 1.0 CD F:GLU188 4.8 49.4 1.0 O F:HOH2024 4.8 46.7 1.0 NH2 F:ARG189 4.8 45.3 1.0 OD2 F:ASP256 4.9 49.4 1.0

R.Kagawa, M.G.Montgomery, K.Braig, A.G.W.Leslie, J.E.Walker. The Structure of Bovine F1-Atpase Inhibited By Adp and Beryllium Fluoride Embo J. V. 23 2734 2004.
ISSN: ISSN 0261-4189
PubMed: 15229653
DOI: 10.1038/SJ.EMBOJ.7600293