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Magnesium in PDB 1nbm: The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan

Enzymatic activity of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan

All present enzymatic activity of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan:
3.6.1.34;

Protein crystallography data

The structure of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan, PDB code: 1nbm was solved by G.L.Orriss, A.G.W.Leslie, K.Braig, J.E.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 281.000, 106.600, 138.800, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 29.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan (pdb code 1nbm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan, PDB code: 1nbm:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 1nbm

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Magnesium binding site 1 out of 5 in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:43.8
occ:1.00
 OG1 A:THR176 1.6 53.2 1.0
O2G A:ATP600 1.9 52.5 1.0
OE1 A:GLN208 2.8 0.0 1.0
CB A:THR176 2.9 45.5 1.0
O2B A:ATP600 3.2 29.5 1.0
PG A:ATP600 3.4 68.3 1.0
OD1 A:ASP269 3.4 83.1 1.0
OD2 A:ASP269 3.5 49.9 1.0
CG2 A:THR176 3.6 47.5 1.0
CG A:ASP269 3.8 59.6 1.0
O3B A:ATP600 4.0 58.0 1.0
CD A:GLN208 4.1 92.2 1.0
CA A:THR176 4.1 42.5 1.0
O3G A:ATP600 4.2 45.9 1.0
O1G A:ATP600 4.2 62.3 1.0
PB A:ATP600 4.3 62.6 1.0
N A:THR176 4.3 51.1 1.0
OH A:TYR203 4.5 55.0 1.0
O2A A:ATP600 4.7 32.2 1.0
OD2 A:ASP270 4.8 92.5 1.0
NE2 A:GLN208 4.9 96.1 1.0
O1A A:ATP600 5.0 48.9 1.0

Magnesium binding site 2 out of 5 in 1nbm

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Magnesium binding site 2 out of 5 in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:25.9
occ:1.00
 OG1 B:THR176 1.7 46.8 1.0
O2G B:ATP600 2.1 65.1 1.0
O2B B:ATP600 2.6 49.8 1.0
CB B:THR176 2.9 38.7 1.0
OE1 B:GLN208 3.1 0.0 1.0
OD1 B:ASP269 3.4 71.2 1.0
PG B:ATP600 3.6 42.3 1.0
CG2 B:THR176 3.6 18.8 1.0
O B:HOH631 3.8 36.8 1.0
PB B:ATP600 3.8 58.9 1.0
OD2 B:ASP269 3.9 50.2 1.0
O3B B:ATP600 3.9 54.0 1.0
CG B:ASP269 4.0 60.3 1.0
CA B:THR176 4.1 25.0 1.0
N B:THR176 4.3 41.3 1.0
CD B:GLN208 4.3 87.5 1.0
O2A B:ATP600 4.4 49.2 1.0
O3G B:ATP600 4.5 31.7 1.0
O1G B:ATP600 4.5 47.9 1.0
O B:HOH610 4.8 32.3 1.0
O1B B:ATP600 4.8 54.3 1.0
OH B:TYR203 4.9 23.6 1.0
O3A B:ATP600 5.0 49.2 1.0

Magnesium binding site 3 out of 5 in 1nbm

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Magnesium binding site 3 out of 5 in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:52.0
occ:1.00
 OG1 C:THR176 1.6 59.0 1.0
O2G C:ATP600 1.8 56.3 1.0
O2B C:ATP600 2.8 43.1 1.0
CB C:THR176 2.8 38.9 1.0
PG C:ATP600 3.3 61.2 1.0
OD2 C:ASP269 3.5 75.8 1.0
CG2 C:THR176 3.5 41.0 1.0
O3B C:ATP600 3.8 56.9 1.0
OD1 C:ASP269 3.9 88.8 1.0
PB C:ATP600 3.9 55.3 1.0
OE1 C:GLN208 4.0 52.7 1.0
CA C:THR176 4.0 23.6 1.0
CG C:ASP269 4.1 75.4 1.0
O1G C:ATP600 4.1 53.6 1.0
N C:THR176 4.2 13.3 1.0
O3G C:ATP600 4.2 28.3 1.0
O2A C:ATP600 4.7 35.5 1.0
OH C:TYR203 4.7 24.5 1.0
CD C:GLN208 4.9 51.2 1.0
O1B C:ATP600 4.9 45.0 1.0
O1A C:ATP600 5.0 27.0 1.0

Magnesium binding site 4 out of 5 in 1nbm

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Magnesium binding site 4 out of 5 in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:57.8
occ:1.00
 OG1 D:THR163 1.6 61.8 1.0
O D:HOH603 1.7 40.0 1.0
O2B D:ADP600 1.7 55.5 1.0
CB D:THR163 2.9 49.2 1.0
PB D:ADP600 3.2 47.6 1.0
O D:HOH610 3.6 44.7 1.0
CG2 D:THR163 3.8 30.2 1.0
N D:THR163 3.9 32.2 1.0
O3B D:ADP600 3.9 59.5 1.0
CA D:THR163 3.9 47.9 1.0
O1B D:ADP600 4.1 25.7 1.0
OD1 D:ASP256 4.1 43.3 1.0
O3A D:ADP600 4.1 50.4 1.0
OE1 D:GLU188 4.3 54.5 1.0
O2A D:ADP600 4.4 48.9 1.0
OE1 D:GLU192 4.4 52.6 1.0
NH1 D:ARG189 4.4 26.8 1.0
OD2 D:ASP256 4.5 55.0 1.0
OE2 D:GLU192 4.5 48.8 1.0
O1A D:ADP600 4.5 36.4 1.0
PA D:ADP600 4.6 36.3 1.0
CG D:ASP256 4.7 48.3 1.0
NH1 C:ARG373 4.8 36.2 1.0
CD D:GLU188 4.8 45.6 1.0
CD D:GLU192 4.8 45.5 1.0
CB D:LYS162 4.9 9.2 1.0
CE D:LYS162 4.9 14.9 1.0
NZ D:LYS162 5.0 26.5 1.0

Magnesium binding site 5 out of 5 in 1nbm

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Magnesium binding site 5 out of 5 in the The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Structure of Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:28.8
occ:1.00
 OG1 F:THR163 1.6 52.5 1.0
O2G F:ATP600 1.9 56.4 1.0
O2B F:ATP600 2.3 54.3 1.0
CB F:THR163 2.8 45.9 1.0
PG F:ATP600 3.3 38.8 1.0
OE1 F:GLU188 3.3 61.7 1.0
OE2 F:GLU192 3.4 38.0 1.0
PB F:ATP600 3.5 38.0 1.0
CG2 F:THR163 3.7 53.2 1.0
O3B F:ATP600 3.7 49.0 1.0
CA F:THR163 3.9 37.4 1.0
OD2 F:ASP256 4.0 51.1 1.0
N F:THR163 4.0 34.1 1.0
O2A F:ATP600 4.0 43.5 1.0
OE1 F:GLU192 4.0 53.4 1.0
NH1 F:ARG189 4.1 27.4 1.0
CD F:GLU192 4.1 36.7 1.0
O1G F:ATP600 4.2 42.8 1.0
O3G F:ATP600 4.3 36.4 1.0
OD1 F:ASP256 4.4 51.8 1.0
CD F:GLU188 4.4 46.3 1.0
O1B F:ATP600 4.5 36.8 1.0
PA F:ATP600 4.6 23.4 1.0
O3A F:ATP600 4.6 25.6 1.0
O1A F:ATP600 4.6 28.9 1.0
CG F:ASP256 4.7 55.0 1.0
NH1 B:ARG373 5.0 25.2 1.0

Reference:

G.L.Orriss, A.G.Leslie, K.Braig, J.E.Walker. Bovine F1-Atpase Covalently Inhibited with 4-Chloro-7-Nitrobenzofurazan: the Structure Provides Further Support For A Rotary Catalytic Mechanism. Structure V. 6 831 1998.
ISSN: ISSN 0969-2126
PubMed: 9687365
DOI: 10.1016/S0969-2126(98)00085-9
Page generated: Tue Aug 13 09:47:55 2024

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