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Magnesium in PDB 2wss: The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase

Enzymatic activity of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase

All present enzymatic activity of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase:
3.6.3.14;

Protein crystallography data

The structure of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase, PDB code: 2wss was solved by D.M.Rees, 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) 41.77 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 158.244, 231.245, 286.361, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 27.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase (pdb code 2wss). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase, PDB code: 2wss:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 2wss

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Magnesium binding site 1 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:49.6
occ:1.00
 OG1 A:THR176 1.9 62.5 1.0
O2B A:ANP600 2.0 55.1 1.0
O2G A:ANP600 2.2 69.7 1.0
CB A:THR176 3.1 51.9 1.0
PB A:ANP600 3.4 54.3 1.0
PG A:ANP600 3.6 82.4 1.0
OD2 A:ASP269 3.6 48.2 1.0
OD1 A:ASP269 3.7 55.6 1.0
N A:THR176 4.0 51.8 1.0
CA A:THR176 4.1 47.6 1.0
CG A:ASP269 4.1 51.5 1.0
O1B A:ANP600 4.1 56.2 1.0
O3G A:ANP600 4.1 69.2 1.0
CG2 A:THR176 4.1 51.0 1.0
N3B A:ANP600 4.2 65.8 1.0
O1A A:ANP600 4.5 51.9 1.0
O3A A:ANP600 4.5 61.1 1.0
O1G A:ANP600 4.7 64.5 1.0
CB A:LYS175 4.9 56.2 1.0
CE A:LYS175 4.9 47.4 1.0
PA A:ANP600 5.0 64.8 1.0

Magnesium binding site 2 out of 10 in 2wss

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Magnesium binding site 2 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:85.0
occ:1.00
 OG1 B:THR176 2.1 57.8 1.0
O2G B:ANP600 2.3 83.4 1.0
O2B B:ANP600 2.5 63.8 1.0
CB B:THR176 3.3 53.1 1.0
PG B:ANP600 3.4 0.6 1.0
OD1 B:ASP269 3.5 66.0 1.0
OE1 B:GLN208 3.5 88.7 1.0
O1G B:ANP600 3.5 71.4 1.0
OD2 B:ASP269 3.6 65.3 1.0
PB B:ANP600 3.8 45.0 1.0
CG B:ASP269 3.9 61.8 1.0
N B:THR176 4.0 42.0 1.0
CA B:THR176 4.1 45.9 1.0
N3B B:ANP600 4.2 63.5 1.0
O2A B:ANP600 4.2 93.6 1.0
CG2 B:THR176 4.3 45.8 1.0
CD B:GLN208 4.4 97.6 1.0
NE2 B:GLN208 4.4 87.5 1.0
CE B:LYS175 4.7 46.2 1.0
O1B B:ANP600 4.7 47.3 1.0
O3A B:ANP600 4.8 74.7 1.0
CB B:LYS175 4.9 43.3 1.0
O3G B:ANP600 4.9 87.5 1.0

Magnesium binding site 3 out of 10 in 2wss

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Magnesium binding site 3 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


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 the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:76.6
occ:1.00
 O2B C:ANP600 2.3 81.3 1.0
O2G C:ANP600 2.3 98.8 1.0
OG1 C:THR176 2.4 66.1 1.0
CB C:THR176 3.1 72.1 1.0
OD2 C:ASP269 3.4 64.0 1.0
PG C:ANP600 3.5 1.0 1.0
PB C:ANP600 3.6 78.8 1.0
OD1 C:ASP269 3.7 66.3 1.0
O1G C:ANP600 3.8 0.8 1.0
N C:THR176 3.9 77.6 1.0
CA C:THR176 4.0 70.5 1.0
CG C:ASP269 4.0 67.2 1.0
N3B C:ANP600 4.0 87.6 1.0
CG2 C:THR176 4.3 77.3 1.0
O2A C:ANP600 4.3 93.7 1.0
O1B C:ANP600 4.6 86.2 1.0
C C:LYS175 4.6 79.8 1.0
O1A C:ANP600 4.6 96.7 1.0
CB C:LYS175 4.6 57.9 1.0
O3A C:ANP600 4.7 82.5 1.0
PA C:ANP600 4.8 0.2 1.0
CE C:LYS175 4.9 64.3 1.0
O3G C:ANP600 5.0 89.8 1.0

Magnesium binding site 4 out of 10 in 2wss

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Magnesium binding site 4 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


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 the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:66.9
occ:1.00
 OG1 D:THR163 2.1 64.3 1.0
O2B D:ADP600 2.2 53.5 1.0
OE1 D:GLU188 2.8 94.0 1.0
CB D:THR163 3.0 62.6 1.0
NH1 D:ARG189 3.2 86.2 1.0
OE1 D:GLU192 3.5 73.1 1.0
PB D:ADP600 3.7 69.2 1.0
CD D:GLU188 3.7 96.6 1.0
CG2 D:THR163 3.8 58.6 1.0
O1A D:ADP600 3.9 57.6 1.0
O3B D:ADP600 3.9 84.2 1.0
NH1 C:ARG373 4.1 87.3 1.0
OE2 D:GLU192 4.2 81.1 1.0
CD D:GLU192 4.2 88.7 1.0
OD2 D:ASP256 4.2 66.7 1.0
OE2 D:GLU188 4.2 94.9 1.0
CA D:THR163 4.3 70.2 1.0
CZ D:ARG189 4.4 80.0 1.0
OD1 D:ASP256 4.5 74.4 1.0
N D:THR163 4.5 71.2 1.0
O3A D:ADP600 4.6 61.5 1.0
PA D:ADP600 4.7 70.8 1.0
CG D:GLU188 4.7 81.6 1.0
O1B D:ADP600 4.7 67.1 1.0
CG D:ASP256 4.8 68.2 1.0
CB D:GLU188 4.9 67.4 1.0
O2A D:ADP600 4.9 68.9 1.0

Magnesium binding site 5 out of 10 in 2wss

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Magnesium binding site 5 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


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 the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:52.8
occ:1.00
 OG1 F:THR163 2.0 63.9 1.0
O2G F:ANP600 2.2 78.2 1.0
O2B F:ANP600 2.6 63.0 1.0
OE1 F:GLU188 3.2 87.2 1.0
O3G F:ANP600 3.3 62.8 1.0
PG F:ANP600 3.3 77.0 1.0
CB F:THR163 3.4 54.5 1.0
NH1 F:ARG189 3.7 62.6 1.0
OD2 F:ASP256 3.8 78.9 1.0
PB F:ANP600 3.9 50.1 1.0
CD F:GLU188 4.0 82.5 1.0
CG2 F:THR163 4.0 55.2 1.0
OE2 F:GLU192 4.1 64.7 1.0
OE1 F:GLU192 4.2 77.8 1.0
OD1 F:ASP256 4.2 69.8 1.0
N3B F:ANP600 4.3 50.8 1.0
N F:THR163 4.3 51.5 1.0
CA F:THR163 4.4 51.8 1.0
CG F:GLU188 4.4 62.9 1.0
O1G F:ANP600 4.4 54.0 1.0
CG F:ASP256 4.5 73.7 1.0
O1B F:ANP600 4.5 47.4 1.0
CD F:GLU192 4.6 74.4 1.0
CE F:LYS162 4.7 50.6 1.0
O1A F:ANP600 4.7 63.1 1.0
ND2 F:ASN257 4.8 72.1 1.0
CZ F:ARG189 4.9 60.8 1.0
OE2 F:GLU188 4.9 76.2 1.0
CB F:GLU188 5.0 53.2 1.0
NZ F:LYS162 5.0 45.4 1.0

Magnesium binding site 6 out of 10 in 2wss

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Magnesium binding site 6 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg601

b:81.2
occ:1.00
 OG1 J:THR176 2.1 63.7 1.0
O2G J:ANP600 2.1 76.2 1.0
O2B J:ANP600 2.6 67.9 1.0
CB J:THR176 3.0 54.9 1.0
O1G J:ANP600 3.1 95.3 1.0
PG J:ANP600 3.1 89.1 1.0
CG2 J:THR176 3.7 52.2 1.0
PB J:ANP600 3.8 74.0 1.0
OD2 J:ASP269 3.9 54.6 1.0
O1A J:ANP600 4.0 68.2 1.0
N3B J:ANP600 4.0 73.9 1.0
CA J:THR176 4.3 50.8 1.0
OD1 J:ASP269 4.4 62.9 1.0
N J:THR176 4.5 54.0 1.0
O3G J:ANP600 4.6 77.1 1.0
CG J:ASP269 4.6 57.6 1.0
OE1 J:GLN208 4.6 77.8 1.0
O2A J:ANP600 4.8 54.4 1.0
PA J:ANP600 4.8 83.7 1.0
O3A J:ANP600 4.9 78.0 1.0
O1B J:ANP600 4.9 57.2 1.0

Magnesium binding site 7 out of 10 in 2wss

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Magnesium binding site 7 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg601

b:65.5
occ:1.00
 OG1 K:THR176 2.0 54.9 1.0
O2G K:ANP600 2.2 91.9 1.0
O2B K:ANP600 2.5 66.8 1.0
CB K:THR176 3.1 52.1 1.0
PG K:ANP600 3.4 0.6 1.0
O1G K:ANP600 3.6 80.1 1.0
OE1 K:GLN208 3.6 82.3 1.0
OD1 K:ASP269 3.7 64.2 1.0
O2A K:ANP600 3.7 91.2 1.0
PB K:ANP600 3.8 40.8 1.0
CG2 K:THR176 4.0 46.9 1.0
NE2 K:GLN208 4.2 86.7 1.0
CA K:THR176 4.2 47.0 1.0
N K:THR176 4.2 45.8 1.0
OD2 K:ASP269 4.2 62.2 1.0
N3B K:ANP600 4.2 59.0 1.0
CD K:GLN208 4.3 93.7 1.0
CG K:ASP269 4.3 60.4 1.0
O3A K:ANP600 4.6 64.5 1.0
PA K:ANP600 4.6 0.7 1.0
O3G K:ANP600 4.7 85.6 1.0
O1A K:ANP600 4.9 87.9 1.0
O1B K:ANP600 4.9 45.2 1.0

Magnesium binding site 8 out of 10 in 2wss

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Magnesium binding site 8 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg601

b:81.0
occ:1.00
 O2G L:ANP600 2.2 0.7 1.0
OG1 L:THR176 2.4 65.3 1.0
O2B L:ANP600 2.5 82.9 1.0
CB L:THR176 3.0 71.3 1.0
OD2 L:ASP269 3.6 70.4 1.0
PG L:ANP600 3.7 0.1 1.0
PB L:ANP600 3.8 66.5 1.0
CG2 L:THR176 3.9 75.8 1.0
N3B L:ANP600 4.0 63.4 1.0
OD1 L:ASP269 4.2 71.9 1.0
CA L:THR176 4.3 72.3 1.0
CG L:ASP269 4.3 71.7 1.0
N L:THR176 4.5 76.0 1.0
O1A L:ANP600 4.6 95.7 1.0
O1G L:ANP600 4.6 96.2 1.0
OE1 L:GLN208 4.7 61.0 1.0
O3G L:ANP600 4.7 92.7 1.0
O1B L:ANP600 4.7 54.2 1.0
O3A L:ANP600 5.0 67.5 1.0

Magnesium binding site 9 out of 10 in 2wss

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Magnesium binding site 9 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg601

b:64.0
occ:1.00
 OG1 M:THR163 2.0 68.5 1.0
O2B M:ADP600 2.1 73.4 1.0
OE1 M:GLU188 2.7 92.3 1.0
CB M:THR163 3.0 63.2 1.0
NH1 M:ARG189 3.3 81.3 1.0
PB M:ADP600 3.3 86.3 1.0
O3B M:ADP600 3.5 67.2 1.0
CD M:GLU188 3.7 96.8 1.0
OE1 M:GLU192 3.7 73.8 1.0
CG2 M:THR163 3.9 56.6 1.0
O1A M:ADP600 4.0 72.9 1.0
O1B M:ADP600 4.2 46.2 1.0
OE2 M:GLU188 4.2 93.5 1.0
NH1 L:ARG373 4.2 79.8 1.0
CA M:THR163 4.2 70.8 1.0
OD2 M:ASP256 4.3 66.0 1.0
OE2 M:GLU192 4.4 84.9 1.0
OD1 M:ASP256 4.4 82.5 1.0
N M:THR163 4.4 70.3 1.0
CD M:GLU192 4.4 90.8 1.0
CZ M:ARG189 4.5 83.0 1.0
O3A M:ADP600 4.5 64.0 1.0
CG M:GLU188 4.7 79.5 1.0
PA M:ADP600 4.7 69.1 1.0
CG M:ASP256 4.8 75.2 1.0

Magnesium binding site 10 out of 10 in 2wss

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Magnesium binding site 10 out of 10 in the The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Mg601

b:51.0
occ:1.00
 OG1 O:THR163 1.9 64.2 1.0
O2G O:ANP600 2.2 67.6 1.0
O2B O:ANP600 2.7 61.2 1.0
CB O:THR163 3.3 54.3 1.0
PG O:ANP600 3.3 81.8 1.0
OE1 O:GLU188 3.4 86.2 1.0
N3B O:ANP600 3.6 61.4 1.0
NH1 O:ARG189 3.7 63.1 1.0
PB O:ANP600 3.8 55.2 1.0
OD2 O:ASP256 3.9 76.2 1.0
CG2 O:THR163 3.9 58.2 1.0
OE2 O:GLU192 4.0 66.7 1.0
OD1 O:ASP256 4.1 76.4 1.0
CD O:GLU188 4.1 79.0 1.0
OE1 O:GLU192 4.1 79.1 1.0
N O:THR163 4.2 51.0 1.0
CA O:THR163 4.3 48.5 1.0
O1G O:ANP600 4.3 67.5 1.0
O1A O:ANP600 4.4 53.8 1.0
O3G O:ANP600 4.4 52.2 1.0
CG O:ASP256 4.5 74.7 1.0
O1B O:ANP600 4.5 50.7 1.0
CG O:GLU188 4.5 64.0 1.0
CD O:GLU192 4.5 74.7 1.0
CE O:LYS162 4.6 49.6 1.0
ND2 O:ASN257 4.9 76.3 1.0
CZ O:ARG189 4.9 60.8 1.0
NZ O:LYS162 4.9 50.1 1.0

Reference:

D.M.Rees, A.G.W.Leslie, J.E.Walker. The Structure of the Membrane Extrinsic Region of Bovine Atp Synthase Proc.Natl.Acad.Sci.Usa V. 106 21597 2009.
ISSN: ISSN 0027-8424
PubMed: 19995987
DOI: 10.1073/PNAS.0910365106
Page generated: Mon Dec 14 07:45:24 2020

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