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Magnesium in PDB 4tsf: The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase

Enzymatic activity of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase

All present enzymatic activity of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase:
3.6.3.14;

Protein crystallography data

The structure of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase, PDB code: 4tsf 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) 134.73 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 108.015, 154.420, 269.465, 90.00, 90.00, 90.00
R / Rfree (%) 23.5 / 27.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase (pdb code 4tsf). 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 Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase, PDB code: 4tsf:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4tsf

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Magnesium binding site 1 out of 5 in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:57.4
occ:1.00
 O2G A:ATP600 2.1 57.7 0.8
O2B A:ATP600 2.2 57.0 1.0
O A:HOH701 2.2 57.9 1.0
OG1 A:THR176 2.2 59.8 1.0
O A:HOH703 2.2 58.2 1.0
O A:HOH702 2.2 57.7 1.0
PG A:ATP600 3.0 58.2 0.8
O3G A:ATP600 3.2 58.4 0.8
PB A:ATP600 3.3 56.9 1.0
O3B A:ATP600 3.4 57.4 1.0
CB A:THR176 3.5 60.4 1.0
OD1 A:ASP269 4.0 59.8 1.0
OD2 A:ASP269 4.1 59.3 1.0
N A:THR176 4.2 61.1 1.0
O1B A:ATP600 4.2 56.4 1.0
O2A A:ATP600 4.3 57.2 1.0
CG2 A:THR176 4.4 60.2 1.0
CA A:THR176 4.4 60.8 1.0
O1G A:ATP600 4.5 57.9 0.8
O3A A:ATP600 4.5 57.3 1.0
CG A:ASP269 4.5 59.8 1.0
PA A:ATP600 4.8 57.5 1.0
CE A:LYS175 4.9 62.8 1.0
O1A A:ATP600 4.9 57.2 1.0

Magnesium binding site 2 out of 5 in 4tsf

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Magnesium binding site 2 out of 5 in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:54.8
occ:1.00
 O2B B:ATP600 2.1 55.0 1.0
O2G B:ATP600 2.2 56.1 1.0
O B:HOH701 2.2 54.6 1.0
OG1 B:THR176 2.2 56.7 1.0
O B:HOH703 2.2 54.4 1.0
O B:HOH702 2.2 54.6 1.0
O3G B:ATP600 2.9 56.4 1.0
PG B:ATP600 2.9 56.4 1.0
PB B:ATP600 3.3 55.2 1.0
CB B:THR176 3.4 57.4 1.0
O3B B:ATP600 3.4 55.8 1.0
OD2 B:ASP269 4.0 51.9 1.0
OD1 B:ASP269 4.1 52.2 1.0
O1B B:ATP600 4.1 54.9 1.0
O2A B:ATP600 4.2 57.0 1.0
N B:THR176 4.3 57.6 1.0
CG2 B:THR176 4.3 57.2 1.0
O1G B:ATP600 4.4 56.4 1.0
CA B:THR176 4.4 58.0 1.0
CG B:ASP269 4.5 52.2 1.0
O3A B:ATP600 4.5 56.0 1.0
PA B:ATP600 4.8 56.7 1.0

Magnesium binding site 3 out of 5 in 4tsf

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Magnesium binding site 3 out of 5 in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:72.8
occ:1.00
 O2B C:ATP600 2.2 73.7 1.0
O C:HOH701 2.2 73.0 1.0
OG1 C:THR176 2.2 72.9 1.0
O C:HOH703 2.2 72.7 1.0
O C:HOH702 2.2 72.9 1.0
O2G C:ATP600 2.2 72.8 0.8
PG C:ATP600 3.1 72.3 0.8
O3G C:ATP600 3.1 72.5 0.8
PB C:ATP600 3.4 74.0 1.0
CB C:THR176 3.5 73.1 1.0
O3B C:ATP600 3.6 73.1 1.0
OD1 C:ASP269 4.0 73.2 1.0
OD2 C:ASP269 4.1 72.2 1.0
O2A C:ATP600 4.2 74.6 1.0
O1B C:ATP600 4.3 73.3 1.0
CG2 C:THR176 4.3 72.7 1.0
N C:THR176 4.4 73.7 1.0
O1G C:ATP600 4.5 72.6 0.8
CG C:ASP269 4.5 72.5 1.0
CA C:THR176 4.5 73.7 1.0
O3A C:ATP600 4.6 74.5 1.0
PA C:ATP600 4.8 74.3 1.0
NE2 C:GLN208 4.8 82.1 1.0

Magnesium binding site 4 out of 5 in 4tsf

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Magnesium binding site 4 out of 5 in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:73.2
occ:1.00
 O D:HOH704 2.2 73.6 1.0
O D:HOH701 2.2 73.1 1.0
OG1 D:THR163 2.2 74.2 1.0
O D:HOH702 2.2 72.8 1.0
O2B D:ADP600 2.2 72.4 1.0
O D:HOH703 2.2 73.5 1.0
PB D:ADP600 3.2 71.6 1.0
O3B D:ADP600 3.4 71.3 1.0
OE1 D:GLU188 3.6 82.5 1.0
CB D:THR163 3.6 74.0 1.0
O1B D:ADP600 4.1 71.2 1.0
NH1 D:ARG189 4.1 80.0 1.0
OD1 D:ASP256 4.1 75.9 1.0
CD D:GLU188 4.2 82.1 1.0
OE2 D:GLU192 4.2 85.3 1.0
OE1 D:GLU192 4.2 84.8 1.0
OD2 D:ASP256 4.2 76.0 1.0
N D:THR163 4.3 73.3 1.0
O2A D:ADP600 4.4 71.9 1.0
CG2 D:THR163 4.4 74.0 1.0
CA D:THR163 4.4 73.7 1.0
O3A D:ADP600 4.5 72.1 1.0
CG D:ASP256 4.6 75.3 1.0
CD D:GLU192 4.6 85.1 1.0
OE2 D:GLU188 4.7 82.7 1.0
CE D:LYS162 4.8 72.3 1.0
PA D:ADP600 4.9 71.8 1.0
CG D:GLU188 4.9 81.2 1.0
CB D:LYS162 4.9 72.9 1.0
NZ D:LYS162 5.0 72.3 1.0
NH1 C:ARG373 5.0 0.7 1.0

Magnesium binding site 5 out of 5 in 4tsf

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Magnesium binding site 5 out of 5 in the The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:62.0
occ:1.00
 OG1 F:THR163 2.2 64.6 1.0
O F:HOH701 2.2 62.2 1.0
O F:HOH703 2.2 61.9 1.0
O F:HOH704 2.2 62.5 1.0
O F:HOH702 2.2 61.7 1.0
O2B F:ADP600 2.2 60.8 1.0
O3B F:ADP600 3.0 61.0 1.0
PB F:ADP600 3.1 60.5 1.0
CB F:THR163 3.5 65.6 1.0
OE1 F:GLU188 3.8 70.5 1.0
NH1 F:ARG189 3.9 65.8 1.0
N F:THR163 4.0 66.0 1.0
O2A F:ADP600 4.1 60.7 1.0
O1B F:ADP600 4.2 60.4 1.0
O3A F:ADP600 4.2 60.8 1.0
OD2 F:ASP256 4.3 67.9 1.0
CA F:THR163 4.3 66.3 1.0
OD1 F:ASP256 4.4 67.9 1.0
PA F:ADP600 4.4 60.8 1.0
CD F:GLU188 4.4 69.7 1.0
O1A F:ADP600 4.5 61.2 1.0
CG2 F:THR163 4.5 65.3 1.0
OE2 F:GLU192 4.7 62.1 1.0
CE F:LYS162 4.7 65.8 1.0
OE1 F:GLU192 4.8 63.2 1.0
CG F:ASP256 4.8 68.1 1.0
CB F:LYS162 4.8 66.2 1.0
OE2 F:GLU188 4.8 69.8 1.0
CZ F:ARG189 5.0 65.7 1.0

Reference:

J.V.Bason, M.G.Montgomery, A.G.Leslie, J.E.Walker. Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-Atpase. Proc.Natl.Acad.Sci.Usa V. 111 11305 2014.
ISSN: ESSN 1091-6490
PubMed: 25049402
DOI: 10.1073/PNAS.1411560111
Page generated: Tue Aug 20 04:14:27 2024

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