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Magnesium in PDB 4z1m: Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.

Enzymatic activity of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.

All present enzymatic activity of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.:
3.6.3.14;

Protein crystallography data

The structure of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate., PDB code: 4z1m was solved by J.V.Bason, 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) 46.31 / 3.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 108.773, 155.286, 271.018, 90.00, 90.00, 90.00
R / Rfree (%) 23.9 / 27.5

Other elements in 4z1m:

The structure of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. also contains other interesting chemical elements:

Chlorine (Cl) 11 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. (pdb code 4z1m). 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 F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate., PDB code: 4z1m:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4z1m

Go back to Magnesium Binding Sites List in 4z1m
Magnesium binding site 1 out of 5 in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:60.2
occ:1.00
 OG1 A:THR176 2.2 60.1 1.0
O2G A:ATP601 2.2 63.0 0.8
O2B A:ATP601 2.2 62.1 1.0
O A:HOH702 2.2 63.3 1.0
O A:HOH704 2.2 63.0 1.0
O A:HOH703 2.2 61.2 1.0
CB A:THR176 3.3 59.6 1.0
PG A:ATP601 3.3 64.5 0.8
PB A:ATP601 3.4 62.5 1.0
O3B A:ATP601 3.5 62.8 1.0
O1G A:ATP601 3.9 64.6 0.8
OD1 A:ASP269 4.0 62.7 1.0
N A:THR176 4.1 58.9 1.0
OD2 A:ASP269 4.2 62.4 1.0
O2A A:ATP601 4.2 63.3 1.0
CG2 A:THR176 4.3 59.9 1.0
CA A:THR176 4.3 59.3 1.0
O1B A:ATP601 4.4 61.4 1.0
O3A A:ATP601 4.5 63.7 1.0
CG A:ASP269 4.5 62.1 1.0
O3G A:ATP601 4.6 65.1 0.8
PA A:ATP601 4.7 63.5 1.0
O1A A:ATP601 4.7 63.2 1.0
CB A:LYS175 5.0 59.1 1.0

Magnesium binding site 2 out of 5 in 4z1m

Go back to Magnesium Binding Sites List in 4z1m
Magnesium binding site 2 out of 5 in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:50.9
occ:1.00
 O B:HOH703 2.2 52.3 1.0
OG1 B:THR176 2.2 51.9 1.0
O2B B:ATP601 2.2 53.5 1.0
O B:HOH702 2.2 52.6 1.0
O2G B:ATP601 2.2 53.6 1.0
O B:HOH701 2.2 51.9 1.0
CB B:THR176 3.3 53.0 1.0
PB B:ATP601 3.3 55.0 1.0
PG B:ATP601 3.4 54.5 1.0
O3B B:ATP601 3.5 54.5 1.0
OD2 B:ASP269 4.0 40.7 1.0
O1G B:ATP601 4.0 54.0 1.0
OD1 B:ASP269 4.1 41.5 1.0
N B:THR176 4.1 54.6 1.0
O2A B:ATP601 4.2 56.3 1.0
CG2 B:THR176 4.2 52.8 1.0
CA B:THR176 4.3 54.9 1.0
O1B B:ATP601 4.3 55.4 1.0
CG B:ASP269 4.5 41.3 1.0
O3A B:ATP601 4.5 55.1 1.0
O3G B:ATP601 4.6 54.0 1.0
PA B:ATP601 4.7 55.8 1.0
O1A B:ATP601 4.8 56.2 1.0

Magnesium binding site 3 out of 5 in 4z1m

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Magnesium binding site 3 out of 5 in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg602

b:72.5
occ:1.00
 O2B C:ATP601 2.2 73.6 1.0
O2G C:ATP601 2.2 72.7 0.8
O C:HOH703 2.2 74.5 1.0
O C:HOH704 2.2 73.2 1.0
O C:HOH705 2.2 73.5 1.0
OG1 C:THR176 2.2 72.7 1.0
PG C:ATP601 3.2 72.0 0.8
CB C:THR176 3.3 72.5 1.0
PB C:ATP601 3.4 74.1 1.0
O3B C:ATP601 3.6 73.3 1.0
O1G C:ATP601 3.6 72.2 0.8
OD2 C:ASP269 3.9 68.6 1.0
OD1 C:ASP269 3.9 69.1 1.0
N C:THR176 4.1 73.3 1.0
CG2 C:THR176 4.3 72.6 1.0
CA C:THR176 4.3 72.5 1.0
CG C:ASP269 4.3 68.8 1.0
O3A C:ATP601 4.4 75.6 1.0
O2A C:ATP601 4.5 74.5 1.0
O1B C:ATP601 4.5 72.5 1.0
O3G C:ATP601 4.6 72.5 0.8
OE1 C:GLN208 4.7 72.8 1.0
PA C:ATP601 4.8 75.7 1.0
O1A C:ATP601 4.8 73.9 1.0

Magnesium binding site 4 out of 5 in 4z1m

Go back to Magnesium Binding Sites List in 4z1m
Magnesium binding site 4 out of 5 in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:86.0
occ:1.00
 O D:HOH703 2.2 88.0 1.0
O D:HOH704 2.2 87.2 1.0
OG1 D:THR163 2.2 86.2 1.0
O2B D:ADP600 2.2 88.9 1.0
O D:HOH705 2.2 88.2 1.0
O D:HOH702 2.2 85.0 1.0
PB D:ADP600 3.3 90.5 1.0
O3B D:ADP600 3.5 90.8 1.0
CB D:THR163 3.5 85.9 1.0
N D:THR163 4.0 86.0 1.0
OE1 D:GLU192 4.2 75.2 1.0
OE2 D:GLU192 4.2 74.1 1.0
CA D:THR163 4.2 85.9 1.0
NH1 D:ARG189 4.2 69.7 1.0
OE1 D:GLU188 4.3 82.3 1.0
OD1 D:ASP256 4.3 71.7 1.0
O1B D:ADP600 4.3 88.8 1.0
O2A D:ADP600 4.3 95.2 1.0
OD2 D:ASP256 4.3 72.0 1.0
O3A D:ADP600 4.4 92.9 1.0
CG2 D:THR163 4.5 86.1 1.0
CD D:GLU192 4.6 76.3 1.0
PA D:ADP600 4.6 94.8 1.0
O1A D:ADP600 4.6 93.5 1.0
CB D:LYS162 4.7 86.3 1.0
CD D:GLU188 4.7 81.1 1.0
CG D:ASP256 4.8 72.2 1.0
CE D:LYS162 4.8 85.6 1.0
C D:LYS162 4.9 86.5 1.0

Magnesium binding site 5 out of 5 in 4z1m

Go back to Magnesium Binding Sites List in 4z1m
Magnesium binding site 5 out of 5 in the Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Bovine F1-Atpase Inhibited By Three Copies of the Inhibitor Protein IF1 Crystallised in the Presence of Thiophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg502

b:67.1
occ:1.00
 OG1 F:THR163 2.2 66.9 1.0
O F:HOH601 2.2 65.9 1.0
O F:HOH603 2.2 67.1 1.0
O2B F:ADP501 2.2 65.2 1.0
O F:HOH602 2.2 68.5 1.0
O F:HOH604 2.2 67.8 1.0
PB F:ADP501 3.3 63.9 1.0
CB F:THR163 3.5 69.8 1.0
O3B F:ADP501 3.5 65.7 1.0
N F:THR163 4.0 71.4 1.0
O2A F:ADP501 4.2 64.6 1.0
NH1 F:ARG189 4.2 52.8 1.0
OE1 F:GLU188 4.2 55.7 1.0
OE2 F:GLU192 4.3 57.6 1.0
CA F:THR163 4.3 71.2 1.0
OD1 F:ASP256 4.3 59.8 1.0
OD2 F:ASP256 4.3 59.8 1.0
O1B F:ADP501 4.4 63.4 1.0
O3A F:ADP501 4.4 64.7 1.0
CG2 F:THR163 4.5 69.6 1.0
OE1 F:GLU192 4.5 59.4 1.0
O1A F:ADP501 4.6 65.1 1.0
PA F:ADP501 4.6 64.7 1.0
CB F:LYS162 4.7 71.2 1.0
CD F:GLU188 4.7 55.6 1.0
CE F:LYS162 4.7 69.5 1.0
CG F:ASP256 4.8 60.6 1.0
CD F:GLU192 4.9 58.2 1.0

Reference:

J.V.Bason, M.G.Montgomery, A.G.Leslie, J.E.Walker. How Release of Phosphate From Mammalian F1-Atpase Generates A Rotary Substep. Proc.Natl.Acad.Sci.Usa V. 112 6009 2015.
ISSN: ESSN 1091-6490
PubMed: 25918412
DOI: 10.1073/PNAS.1506465112
Page generated: Sat Sep 28 23:34:50 2024

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