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Magnesium in PDB 4tt3: 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: 4tt3 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) 136.02 / 3.21
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 108.385, 154.545, 272.040, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 28.3

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 4tt3). 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: 4tt3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4tt3

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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:Mg602

b:75.4
occ:1.00
 O2G A:ATP601 2.1 75.7 0.8
O A:HOH703 2.2 75.8 1.0
OG1 A:THR176 2.2 77.7 1.0
O A:HOH701 2.2 75.4 1.0
O A:HOH702 2.2 76.8 1.0
O2B A:ATP601 2.2 74.3 1.0
PG A:ATP601 3.0 76.5 0.8
O3G A:ATP601 3.0 76.8 0.8
PB A:ATP601 3.3 74.2 1.0
O3B A:ATP601 3.4 74.9 1.0
CB A:THR176 3.5 77.8 1.0
OD1 A:ASP269 3.8 71.4 1.0
OD2 A:ASP269 4.1 69.7 1.0
N A:THR176 4.1 77.5 1.0
O1B A:ATP601 4.2 73.2 1.0
CA A:THR176 4.3 77.8 1.0
CG A:ASP269 4.4 70.8 1.0
O1G A:ATP601 4.4 76.8 0.8
CG2 A:THR176 4.5 77.7 1.0
NE2 A:GLN208 4.5 85.8 1.0
O2A A:ATP601 4.5 75.4 1.0
O3A A:ATP601 4.6 75.8 1.0
CE A:LYS175 4.6 77.2 1.0
CB A:LYS175 4.7 77.7 1.0
PA A:ATP601 4.9 76.1 1.0

Magnesium binding site 2 out of 5 in 4tt3

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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:Mg602

b:63.1
occ:1.00
 O2G B:ATP601 2.2 64.0 1.0
O B:HOH703 2.2 62.9 1.0
OG1 B:THR176 2.2 67.5 1.0
O B:HOH702 2.2 63.0 1.0
O B:HOH701 2.2 63.7 1.0
O2B B:ATP601 2.2 64.8 1.0
PG B:ATP601 3.1 64.1 1.0
PB B:ATP601 3.3 64.6 1.0
O1G B:ATP601 3.3 64.4 1.0
CB B:THR176 3.4 69.4 1.0
O3B B:ATP601 3.5 64.3 1.0
OD2 B:ASP269 3.9 58.5 1.0
OD1 B:ASP269 3.9 59.4 1.0
O1B B:ATP601 4.2 63.8 1.0
N B:THR176 4.2 70.4 1.0
CG B:ASP269 4.3 59.1 1.0
CG2 B:THR176 4.4 69.2 1.0
CA B:THR176 4.4 70.7 1.0
O2A B:ATP601 4.5 67.9 1.0
O3G B:ATP601 4.5 63.5 1.0
O3A B:ATP601 4.6 65.9 1.0
PA B:ATP601 4.9 67.5 1.0
O1A B:ATP601 4.9 67.4 1.0
CB B:LYS175 5.0 69.2 1.0

Magnesium binding site 3 out of 5 in 4tt3

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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:83.8
occ:1.00
 O2G C:ATP600 2.2 83.1 0.8
OG1 C:THR176 2.2 87.5 1.0
O C:HOH703 2.2 84.4 1.0
O C:HOH702 2.2 83.7 1.0
O C:HOH701 2.2 82.6 1.0
O2B C:ATP600 2.5 85.3 1.0
PG C:ATP600 3.3 83.6 0.8
O3B C:ATP600 3.4 84.8 1.0
OD2 C:ASP269 3.5 81.5 1.0
CB C:THR176 3.5 88.1 1.0
PB C:ATP600 3.5 85.5 1.0
OD1 C:ASP269 3.6 81.5 1.0
O3G C:ATP600 3.8 83.3 0.8
CG C:ASP269 4.0 81.2 1.0
N C:THR176 4.3 88.1 1.0
CG2 C:THR176 4.4 88.2 1.0
O3A C:ATP600 4.4 86.0 1.0
CA C:THR176 4.5 88.1 1.0
O1G C:ATP600 4.6 84.1 0.8
OE1 C:GLN208 4.8 91.0 1.0
O1B C:ATP600 4.8 84.8 1.0

Magnesium binding site 4 out of 5 in 4tt3

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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:88.8
occ:1.00
 O2B D:ADP600 2.1 87.9 1.0
O D:HOH701 2.2 87.1 1.0
O D:HOH704 2.2 89.6 1.0
OG1 D:THR163 2.2 91.3 1.0
O D:HOH703 2.2 89.4 1.0
O D:HOH702 2.2 89.2 1.0
PB D:ADP600 3.2 87.5 1.0
CB D:THR163 3.6 91.5 1.0
O3B D:ADP600 3.6 87.4 1.0
OE1 D:GLU188 3.7 95.2 1.0
N D:THR163 3.9 92.8 1.0
O1B D:ADP600 3.9 85.7 1.0
OD1 D:ASP256 4.0 88.8 1.0
OD2 D:ASP256 4.0 88.5 1.0
CA D:THR163 4.2 92.1 1.0
OE2 D:GLU192 4.3 98.8 1.0
OE1 D:GLU192 4.3 99.6 1.0
CD D:GLU188 4.3 94.9 1.0
CB D:LYS162 4.4 94.3 1.0
CG D:ASP256 4.4 89.0 1.0
CE D:LYS162 4.4 95.0 1.0
CG2 D:THR163 4.5 91.2 1.0
O3A D:ADP600 4.5 87.5 1.0
NZ D:LYS162 4.5 95.6 1.0
O2A D:ADP600 4.6 85.2 1.0
NH1 D:ARG189 4.7 90.2 1.0
CD D:GLU192 4.7 99.9 1.0
C D:LYS162 4.8 93.0 1.0
OE2 D:GLU188 4.9 95.2 1.0
PA D:ADP600 4.9 86.3 1.0
ND2 D:ASN257 4.9 87.3 1.0

Magnesium binding site 5 out of 5 in 4tt3

Go back to Magnesium Binding Sites List in 4tt3
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:78.8
occ:1.00
 OG1 F:THR163 2.2 83.0 1.0
O F:HOH703 2.2 78.0 1.0
O F:HOH701 2.2 78.5 1.0
O F:HOH704 2.2 78.4 1.0
O F:HOH702 2.2 79.2 1.0
O2B F:ADP600 2.2 77.3 1.0
PB F:ADP600 3.2 77.1 1.0
O3B F:ADP600 3.2 77.1 1.0
CB F:THR163 3.5 84.1 1.0
NH1 F:ARG189 3.8 72.3 1.0
OE1 F:GLU188 3.9 71.9 1.0
O2A F:ADP600 4.2 77.3 1.0
O1B F:ADP600 4.2 76.0 1.0
N F:THR163 4.3 84.3 1.0
CD F:GLU188 4.4 71.7 1.0
O3A F:ADP600 4.4 77.8 1.0
CG2 F:THR163 4.4 83.5 1.0
OE2 F:GLU192 4.4 68.2 1.0
CA F:THR163 4.5 84.6 1.0
OE1 F:GLU192 4.5 69.5 1.0
OD2 F:ASP256 4.5 75.6 1.0
OD1 F:ASP256 4.6 75.6 1.0
PA F:ADP600 4.6 77.8 1.0
OE2 F:GLU188 4.7 71.3 1.0
O1A F:ADP600 4.7 78.0 1.0
NZ F:LYS162 4.9 83.2 1.0
CE F:LYS162 4.9 83.2 1.0
CD F:GLU192 4.9 69.2 1.0
CB F:LYS162 5.0 84.2 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 04:15:33 2024

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