Magnesium in PDB 1e1q: Bovine Mitochondrial F1-Atpase at 100K

All present enzymatic activity of Bovine Mitochondrial F1-Atpase at 100K:
3.6.1.34;

The structure of Bovine Mitochondrial F1-Atpase at 100K, PDB code: 1e1q was solved by K.Braig, R.I.Menz, M.G.Montgomery, A.G.W.Leslie, J.E.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20 / 2.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	280.800, 107.400, 139.600, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28

The binding sites of Magnesium atom in the Bovine Mitochondrial F1-Atpase at 100K (pdb code 1e1q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Bovine Mitochondrial F1-Atpase at 100K, PDB code: 1e1q:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Bovine Mitochondrial F1-Atpase at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bovine Mitochondrial F1-Atpase at 100K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:49.8 occ:1.00 O2G A:ANP600 2.1 43.5 1.0 OG1 A:THR176 2.2 46.5 1.0 O A:HOH2043 2.2 36.4 1.0 O2B A:ANP600 2.4 35.3 1.0 PG A:ANP600 3.3 44.2 1.0 CB A:THR176 3.4 36.0 1.0 PB A:ANP600 3.6 36.3 1.0 N3B A:ANP600 3.6 41.8 1.0 O A:HOH2044 3.8 52.2 1.0 O3G A:ANP600 3.9 42.9 1.0 OD2 A:ASP269 4.1 43.2 1.0 OD1 A:ASP269 4.2 52.1 1.0 O A:HOH2045 4.2 36.9 1.0 CG2 A:THR176 4.3 37.1 1.0 N A:THR176 4.4 42.9 1.0 O2A A:ANP600 4.5 42.2 1.0 O1G A:ANP600 4.5 45.0 1.0 CA A:THR176 4.5 43.2 1.0 O D:HOH2029 4.5 52.5 1.0 CG A:ASP269 4.6 53.5 1.0 O1B A:ANP600 4.6 34.9 1.0 O3A A:ANP600 4.6 41.4 1.0 PA A:ANP600 5.0 40.8 1.0

Magnesium binding site 2 out of 5 in the Bovine Mitochondrial F1-Atpase at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bovine Mitochondrial F1-Atpase at 100K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:62.8 occ:1.00 OG1 B:THR176 2.0 59.7 1.0 O2G B:ANP600 2.1 52.2 1.0 O2B B:ANP600 2.1 54.3 1.0 CB B:THR176 2.9 50.4 1.0 PG B:ANP600 3.4 46.7 1.0 PB B:ANP600 3.5 48.7 1.0 N3B B:ANP600 3.8 45.1 1.0 CG2 B:THR176 3.9 47.1 1.0 N B:THR176 3.9 44.6 1.0 OD2 B:ASP269 4.0 47.5 1.0 CA B:THR176 4.0 49.3 1.0 OD1 B:ASP269 4.1 52.9 1.0 O B:HOH2083 4.1 56.2 1.0 O3G B:ANP600 4.1 45.9 1.0 O1B B:ANP600 4.3 50.3 1.0 O1G B:ANP600 4.4 51.2 1.0 O B:HOH2029 4.4 60.0 1.0 O2A B:ANP600 4.5 50.9 1.0 CG B:ASP269 4.5 55.1 1.0 O B:HOH2041 4.5 41.4 1.0 O3A B:ANP600 4.5 52.9 1.0 NZ B:LYS175 4.7 44.8 1.0 O1A B:ANP600 4.7 48.7 1.0 PA B:ANP600 4.8 49.8 1.0 O B:HOH2024 5.0 58.9 1.0

Magnesium binding site 3 out of 5 in the Bovine Mitochondrial F1-Atpase at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bovine Mitochondrial F1-Atpase at 100K within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:46.2 occ:1.00 O C:HOH2035 2.0 45.5 1.0 O2B C:ANP600 2.2 45.7 1.0 O2G C:ANP600 2.2 41.7 1.0 OG1 C:THR176 2.3 45.4 1.0 CB C:THR176 3.1 38.0 1.0 PG C:ANP600 3.3 41.1 1.0 PB C:ANP600 3.3 43.3 1.0 N3B C:ANP600 3.4 45.4 1.0 O C:HOH2041 3.9 68.2 1.0 O3G C:ANP600 3.9 43.2 1.0 CG2 C:THR176 4.0 37.4 1.0 O2A C:ANP600 4.1 42.6 1.0 N C:THR176 4.2 40.3 1.0 CA C:THR176 4.3 40.5 1.0 OD2 C:ASP269 4.3 38.6 1.0 O3A C:ANP600 4.3 44.4 1.0 O1B C:ANP600 4.4 43.0 1.0 O1G C:ANP600 4.4 42.1 1.0 OD1 C:ASP269 4.4 40.9 1.0 PA C:ANP600 4.6 44.2 1.0 O C:HOH2057 4.6 52.8 1.0 O1A C:ANP600 4.7 43.8 1.0 CG C:ASP269 4.8 46.3 1.0

Magnesium binding site 4 out of 5 in the Bovine Mitochondrial F1-Atpase at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bovine Mitochondrial F1-Atpase at 100K within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:55.6 occ:1.00 O D:HOH2037 2.2 52.6 1.0 OG1 D:THR163 2.3 43.6 1.0 O2B D:ADP600 2.3 41.1 1.0 CB D:THR163 2.9 45.7 1.0 PB D:ADP600 3.5 39.4 1.0 O2A D:ADP600 3.7 39.1 1.0 OE2 D:GLU192 3.7 55.2 1.0 CG2 D:THR163 3.8 31.6 1.0 O3B D:ADP600 3.8 44.0 1.0 NH1 D:ARG189 4.0 41.0 1.0 N D:THR163 4.0 41.7 1.0 CA D:THR163 4.0 42.1 1.0 O3A D:ADP600 4.1 40.6 1.0 OD2 D:ASP256 4.3 41.2 1.0 OE1 D:GLU192 4.3 62.0 1.0 PA D:ADP600 4.3 39.3 1.0 O1A D:ADP600 4.4 31.4 1.0 O D:HOH2038 4.4 46.1 1.0 CD D:GLU192 4.4 59.5 1.0 NH1 C:ARG373 4.5 51.1 1.0 OD1 D:ASP256 4.5 51.4 1.0 O1B D:ADP600 4.7 39.8 1.0 O D:HOH2039 4.8 61.4 1.0 CG D:ASP256 4.9 51.4 1.0 OE1 D:GLU188 4.9 65.9 1.0

Magnesium binding site 5 out of 5 in the Bovine Mitochondrial F1-Atpase at 100K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Bovine Mitochondrial F1-Atpase at 100K within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:50.1 occ:1.00 O2G F:ANP600 2.1 44.1 1.0 O2B F:ANP600 2.2 50.1 1.0 OG1 F:THR163 2.3 37.5 1.0 O F:HOH2107 2.3 47.1 1.0 CB F:THR163 3.0 39.1 1.0 PB F:ANP600 3.4 48.5 1.0 PG F:ANP600 3.4 46.0 1.0 N3B F:ANP600 3.7 47.3 1.0 OE1 F:GLU192 3.8 63.2 1.0 CG2 F:THR163 3.9 38.8 1.0 NH1 F:ARG189 4.0 28.6 1.0 OE2 F:GLU192 4.1 67.4 1.0 N F:THR163 4.1 44.6 1.0 CA F:THR163 4.1 39.8 1.0 O2A F:ANP600 4.1 46.3 1.0 OD2 F:ASP256 4.2 36.0 1.0 OE1 F:GLU188 4.2 62.4 1.0 O3A F:ANP600 4.3 44.5 1.0 O3G F:ANP600 4.4 42.6 1.0 CD F:GLU192 4.4 62.1 1.0 O1G F:ANP600 4.4 48.7 1.0 OD1 F:ASP256 4.4 42.4 1.0 NH1 B:ARG373 4.5 47.6 1.0 O1B F:ANP600 4.5 51.3 1.0 O F:HOH2054 4.6 58.8 1.0 PA F:ANP600 4.6 42.2 1.0 O1A F:ANP600 4.8 44.4 1.0 CG F:ASP256 4.9 47.5 1.0 CE F:LYS162 4.9 44.9 1.0

K.Braig, R.I.Menz, M.G.Montgomery, A.G.W.Leslie, J.E.Walker. Structure of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride Structure V. 8 567 2000.
ISSN: ISSN 0969-2126
PubMed: 10873854
DOI: 10.1016/S0969-2126(00)00145-3