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Magnesium in PDB 1e1r: Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride

Enzymatic activity of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride

All present enzymatic activity of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride:
3.6.1.34;

Protein crystallography data

The structure of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride, PDB code: 1e1r 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 / 2.5
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 278.600, 106.700, 137.900, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 28.2

Other elements in 1e1r:

The structure of Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Aluminium (Al) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride (pdb code 1e1r). 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 Inhibited By MG2+Adp and Aluminium Fluoride, PDB code: 1e1r:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 1e1r

Go back to Magnesium Binding Sites List in 1e1r
Magnesium binding site 1 out of 5 in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride


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 Inhibited By MG2+Adp and Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:41.2
occ:1.00
 O2B A:ANP600 2.1 29.7 1.0
O2G A:ANP600 2.1 31.9 1.0
OG1 A:THR176 2.2 33.5 1.0
O A:HOH2142 2.2 40.1 1.0
O A:HOH2044 2.2 23.6 1.0
PG A:ANP600 3.2 32.4 1.0
PB A:ANP600 3.3 34.0 1.0
CB A:THR176 3.3 28.0 1.0
N3B A:ANP600 3.4 34.0 1.0
O A:HOH2138 3.9 37.1 1.0
O3G A:ANP600 3.9 34.4 1.0
O D:HOH2041 4.1 37.1 1.0
O A:HOH2069 4.1 34.7 1.0
OD1 A:ASP269 4.1 31.4 1.0
OD2 A:ASP269 4.1 33.4 1.0
N A:THR176 4.2 36.2 1.0
O1B A:ANP600 4.2 35.2 1.0
CG2 A:THR176 4.3 21.3 1.0
O3A A:ANP600 4.3 33.0 1.0
CA A:THR176 4.3 35.7 1.0
O1G A:ANP600 4.4 32.4 1.0
O2A A:ANP600 4.4 30.4 1.0
CG A:ASP269 4.6 33.2 1.0
O A:HOH2143 4.6 45.1 1.0
PA A:ANP600 4.7 34.3 1.0
O A:HOH2098 4.7 35.6 1.0
O1A A:ANP600 4.8 33.2 1.0

Magnesium binding site 2 out of 5 in 1e1r

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Magnesium binding site 2 out of 5 in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride


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 Inhibited By MG2+Adp and Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:37.3
occ:1.00
 OG1 B:THR176 2.0 35.9 1.0
O2G B:ANP600 2.1 34.4 1.0
O2B B:ANP600 2.1 41.1 1.0
O B:HOH2125 2.2 20.8 1.0
O B:HOH2060 2.2 39.2 1.0
CB B:THR176 3.1 35.1 1.0
PB B:ANP600 3.2 40.4 1.0
PG B:ANP600 3.2 35.5 1.0
N3B B:ANP600 3.3 36.4 1.0
O B:HOH2123 3.8 50.4 1.0
N B:THR176 3.9 34.6 1.0
CA B:THR176 4.1 36.8 1.0
OD2 B:ASP269 4.1 43.3 1.0
O B:HOH2074 4.1 37.3 1.0
O1G B:ANP600 4.2 32.6 1.0
O B:HOH2121 4.2 33.2 1.0
OD1 B:ASP269 4.2 45.5 1.0
CG2 B:THR176 4.2 35.0 1.0
O2A B:ANP600 4.2 37.6 1.0
O3G B:ANP600 4.2 37.6 1.0
O3A B:ANP600 4.3 42.2 1.0
O1B B:ANP600 4.3 39.4 1.0
CG B:ASP269 4.6 47.9 1.0
O1A B:ANP600 4.6 41.0 1.0
PA B:ANP600 4.6 39.5 1.0
OE1 B:GLN208 4.7 60.2 1.0
CB B:LYS175 5.0 37.2 1.0

Magnesium binding site 3 out of 5 in 1e1r

Go back to Magnesium Binding Sites List in 1e1r
Magnesium binding site 3 out of 5 in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride


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 Inhibited By MG2+Adp and Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:28.3
occ:1.00
 O C:HOH2064 2.1 33.2 1.0
OG1 C:THR176 2.1 25.4 1.0
O C:HOH2165 2.1 34.5 1.0
O2B C:ANP600 2.1 32.5 1.0
O2G C:ANP600 2.1 31.4 1.0
O C:HOH2063 2.2 33.5 1.0
CB C:THR176 3.2 31.4 1.0
PG C:ANP600 3.2 29.6 1.0
PB C:ANP600 3.3 32.6 1.0
N3B C:ANP600 3.5 34.6 1.0
O3G C:ANP600 3.8 30.4 1.0
OD2 C:ASP269 4.0 30.7 1.0
O C:HOH2088 4.0 29.3 1.0
O C:HOH2169 4.0 38.2 1.0
N C:THR176 4.1 33.0 1.0
CG2 C:THR176 4.1 27.1 1.0
O C:HOH2089 4.1 32.1 1.0
O1B C:ANP600 4.2 32.4 1.0
OD1 C:ASP269 4.2 31.1 1.0
CA C:THR176 4.2 32.7 1.0
O C:HOH2069 4.3 26.0 1.0
O2A C:ANP600 4.3 36.2 1.0
O1G C:ANP600 4.4 30.2 1.0
O C:HOH2091 4.5 41.5 1.0
O3A C:ANP600 4.5 35.6 1.0
CG C:ASP269 4.5 28.7 1.0
PA C:ANP600 4.9 37.8 1.0
O C:HOH2061 4.9 22.3 1.0

Magnesium binding site 4 out of 5 in 1e1r

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Magnesium binding site 4 out of 5 in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride


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 Inhibited By MG2+Adp and Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:33.0
occ:1.00
 O D:HOH2072 2.0 35.0 1.0
O D:HOH2051 2.1 37.5 1.0
O2B D:ADP600 2.1 32.1 1.0
OG1 D:THR163 2.2 35.0 1.0
O D:HOH2143 2.2 27.7 1.0
F3 D:AF3602 2.5 41.4 1.0
CB D:THR163 3.0 34.8 1.0
PB D:ADP600 3.4 31.2 1.0
O3B D:ADP600 3.7 34.2 1.0
OE1 D:GLU188 3.9 35.4 1.0
NH1 D:ARG189 3.9 30.1 1.0
O D:HOH2050 4.0 33.7 1.0
AL D:AF3602 4.0 43.5 1.0
OD2 D:ASP256 4.0 33.8 1.0
N D:THR163 4.0 34.0 1.0
CG2 D:THR163 4.0 37.0 1.0
CA D:THR163 4.1 35.5 1.0
O2A D:ADP600 4.2 29.1 1.0
OD1 D:ASP256 4.3 37.6 1.0
NH1 C:ARG373 4.3 26.2 1.0
OE1 D:GLU192 4.3 27.4 1.0
OE2 D:GLU192 4.3 29.8 1.0
O3A D:ADP600 4.3 32.4 1.0
O1B D:ADP600 4.4 35.0 1.0
O D:HOH2052 4.5 35.5 1.0
CD D:GLU188 4.6 34.8 1.0
O1A D:ADP600 4.6 29.6 1.0
F2 D:AF3602 4.6 45.8 1.0
CG D:ASP256 4.6 36.4 1.0
PA D:ADP600 4.6 30.4 1.0
CD D:GLU192 4.8 31.1 1.0
CB D:LYS162 4.8 32.3 1.0
CE D:LYS162 5.0 25.6 1.0

Magnesium binding site 5 out of 5 in 1e1r

Go back to Magnesium Binding Sites List in 1e1r
Magnesium binding site 5 out of 5 in the Bovine Mitochondrial F1-Atpase Inhibited By MG2+Adp and Aluminium Fluoride


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 Inhibited By MG2+Adp and Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:32.2
occ:1.00
 O2G F:ANP600 2.0 35.4 1.0
OG1 F:THR163 2.1 33.3 1.0
O F:HOH2147 2.1 39.6 1.0
O F:HOH2073 2.2 23.9 1.0
O2B F:ANP600 2.3 37.4 1.0
CB F:THR163 3.2 36.2 1.0
PG F:ANP600 3.3 34.9 1.0
PB F:ANP600 3.4 36.4 1.0
N3B F:ANP600 3.6 36.8 1.0
OE1 F:GLU188 3.7 32.2 1.0
O F:HOH2048 3.8 19.4 1.0
NH1 F:ARG189 4.0 24.0 1.0
OE2 F:GLU192 4.1 38.7 1.0
OD2 F:ASP256 4.1 38.4 1.0
N F:THR163 4.1 32.6 1.0
CG2 F:THR163 4.1 26.2 1.0
O3G F:ANP600 4.1 36.1 1.0
OD1 F:ASP256 4.2 32.9 1.0
O2A F:ANP600 4.2 36.1 1.0
CA F:THR163 4.2 30.8 1.0
OE1 F:GLU192 4.3 37.0 1.0
O1G F:ANP600 4.3 36.0 1.0
O3A F:ANP600 4.3 34.8 1.0
O F:HOH2049 4.4 33.5 1.0
O1B F:ANP600 4.5 36.5 1.0
CD F:GLU188 4.5 34.0 1.0
CE F:LYS162 4.6 34.5 1.0
CD F:GLU192 4.6 38.1 1.0
CG F:ASP256 4.6 38.7 1.0
NH1 B:ARG373 4.7 30.4 1.0
PA F:ANP600 4.7 35.0 1.0
NZ F:LYS162 4.8 35.4 1.0
O1A F:ANP600 5.0 34.8 1.0

Reference:

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
Page generated: Tue Aug 13 02:49:09 2024

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