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Magnesium in PDB 3oaa: Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon

Enzymatic activity of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon

All present enzymatic activity of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon:
3.6.3.14;

Protein crystallography data

The structure of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon, PDB code: 3oaa was solved by G.Cingolani, T.M.Duncan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.26
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 435.970, 183.000, 225.390, 90.00, 108.99, 90.00
R / Rfree (%) 24.3 / 26.5

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Magnesium atom in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon (pdb code 3oaa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon, PDB code: 3oaa:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 16 in 3oaa

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Magnesium binding site 1 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:64.3
occ:1.00
O2G A:ANP600 2.0 0.2 1.0
OG1 A:THR176 2.1 20.0 1.0
O2B A:ANP600 2.4 0.8 1.0
CB A:THR176 3.1 20.0 1.0
PG A:ANP600 3.5 0.1 1.0
OD1 A:ASP261 3.7 84.8 1.0
OD2 A:ASP261 3.7 85.2 1.0
PB A:ANP600 3.7 87.4 1.0
CG2 A:THR176 4.0 20.0 1.0
OE1 A:GLN200 4.0 96.0 1.0
O3G A:ANP600 4.1 0.3 1.0
CG A:ASP261 4.1 83.2 1.0
CA A:THR176 4.2 76.7 1.0
N3B A:ANP600 4.2 98.7 1.0
N A:THR176 4.3 69.0 1.0
NE2 A:GLN200 4.3 96.2 1.0
CD A:GLN200 4.5 94.9 1.0
O2A A:ANP600 4.5 97.0 1.0
O1G A:ANP600 4.6 0.1 1.0
O1B A:ANP600 4.7 90.0 1.0
OD1 A:ASP262 4.9 0.3 1.0

Magnesium binding site 2 out of 16 in 3oaa

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Magnesium binding site 2 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:0.5
occ:1.00
OG1 B:THR176 2.0 95.9 1.0
O2G B:ANP600 2.1 0.2 1.0
O2B B:ANP600 2.2 0.2 1.0
PG B:ANP600 3.0 0.7 1.0
CB B:THR176 3.1 96.5 1.0
O3G B:ANP600 3.2 0.7 1.0
PB B:ANP600 3.3 97.1 1.0
N3B B:ANP600 3.6 97.5 1.0
OE1 B:GLN200 3.8 0.3 1.0
CG2 B:THR176 3.8 98.6 1.0
O1A B:ANP600 3.8 0.8 1.0
CA B:THR176 4.3 94.1 1.0
O1G B:ANP600 4.4 0.8 1.0
N B:THR176 4.4 83.5 1.0
O3A B:ANP600 4.4 0.1 1.0
PA B:ANP600 4.4 0.1 1.0
O2A B:ANP600 4.4 0.9 1.0
O1B B:ANP600 4.6 96.4 1.0
OD2 B:ASP261 4.7 0.6 1.0
CD B:GLN200 5.0 0.0 1.0

Magnesium binding site 3 out of 16 in 3oaa

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Magnesium binding site 3 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:64.3
occ:1.00
O2G C:ANP600 2.0 0.2 1.0
OG1 C:THR176 2.0 20.0 1.0
O2B C:ANP600 2.2 0.8 1.0
CB C:THR176 3.2 20.0 1.0
PG C:ANP600 3.5 0.1 1.0
PB C:ANP600 3.5 87.4 1.0
OD1 C:ASP261 3.9 96.4 1.0
OD2 C:ASP261 3.9 0.8 1.0
CG2 C:THR176 4.1 20.0 1.0
N3B C:ANP600 4.2 98.7 1.0
N C:THR176 4.2 79.4 1.0
CA C:THR176 4.2 79.5 1.0
O3G C:ANP600 4.3 0.3 1.0
CG C:ASP261 4.3 99.2 1.0
O1B C:ANP600 4.4 90.0 1.0
O1G C:ANP600 4.5 0.1 1.0
O2A C:ANP600 4.6 97.0 1.0
OD2 C:ASP262 4.8 0.5 1.0
O3A C:ANP600 4.9 95.0 1.0

Magnesium binding site 4 out of 16 in 3oaa

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Magnesium binding site 4 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:51.2
occ:1.00
O3 D:SO4630 2.1 77.3 1.0
OG1 D:THR156 2.1 98.0 1.0
O2B D:ADP600 2.3 88.1 1.0
S D:SO4630 3.1 75.5 1.0
O4 D:SO4630 3.2 74.0 1.0
OE2 D:GLU185 3.2 0.5 1.0
CB D:THR156 3.4 97.9 1.0
O2A D:ADP600 3.7 80.2 1.0
OE1 D:GLU185 3.7 0.1 1.0
PB D:ADP600 3.7 81.5 1.0
NH2 D:ARG182 3.8 76.9 1.0
CD D:GLU185 3.8 0.5 1.0
O1 D:SO4630 4.0 74.6 1.0
O1B D:ADP600 4.0 80.4 1.0
OD2 D:ASP242 4.2 0.6 1.0
CG2 D:THR156 4.2 0.2 1.0
O2 D:SO4630 4.2 72.4 1.0
NH1 C:ARG376 4.3 83.8 1.0
N D:THR156 4.4 91.1 1.0
CA D:THR156 4.4 95.2 1.0
PA D:ADP600 4.5 76.9 1.0
O3A D:ADP600 4.6 75.2 1.0
O3B D:ADP600 4.7 82.8 1.0
O1A D:ADP600 4.8 76.5 1.0
OD1 D:ASP242 4.8 0.3 1.0
NH2 D:ARG246 4.8 94.1 1.0
NZ D:LYS155 4.8 78.7 1.0
CZ D:ARG182 4.9 78.5 1.0
CG D:ASP242 4.9 0.9 1.0

Magnesium binding site 5 out of 16 in 3oaa

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Magnesium binding site 5 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg601

b:64.3
occ:1.00
OG1 I:THR176 2.0 20.0 1.0
O2G I:ANP600 2.0 0.2 1.0
O2B I:ANP600 2.2 0.8 1.0
CB I:THR176 2.8 20.0 1.0
PG I:ANP600 3.5 0.1 1.0
PB I:ANP600 3.5 87.4 1.0
OD1 I:ASP261 3.6 0.0 1.0
OD2 I:ASP261 3.7 0.9 1.0
CA I:THR176 3.8 0.6 1.0
N I:THR176 3.9 97.3 1.0
CG2 I:THR176 3.9 20.0 1.0
CG I:ASP261 4.1 0.9 1.0
N3B I:ANP600 4.1 98.7 1.0
O3G I:ANP600 4.1 0.3 1.0
OE1 I:GLN200 4.3 0.4 1.0
O2A I:ANP600 4.4 97.0 1.0
NE2 I:GLN200 4.5 0.6 1.0
O1B I:ANP600 4.5 90.0 1.0
O1G I:ANP600 4.6 0.1 1.0
CD I:GLN200 4.8 0.7 1.0
O3A I:ANP600 4.8 95.0 1.0
PA I:ANP600 5.0 96.3 1.0
O1A I:ANP600 5.0 98.3 1.0
OD1 I:ASP262 5.0 0.3 1.0

Magnesium binding site 6 out of 16 in 3oaa

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Magnesium binding site 6 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg601

b:0.7
occ:1.00
O2G J:ANP600 2.0 0.5 1.0
OG1 J:THR176 2.1 81.5 1.0
O2B J:ANP600 2.2 0.5 1.0
PG J:ANP600 2.9 0.1 1.0
CB J:THR176 3.0 84.6 1.0
O3G J:ANP600 3.0 0.0 1.0
PB J:ANP600 3.2 83.8 1.0
N3B J:ANP600 3.5 86.3 1.0
OE1 J:GLN200 3.7 0.4 1.0
CG2 J:THR176 3.8 87.4 1.0
O1A J:ANP600 3.9 90.7 1.0
CA J:THR176 4.2 84.6 1.0
O1G J:ANP600 4.3 0.6 1.0
N J:THR176 4.3 77.7 1.0
O3A J:ANP600 4.4 94.2 1.0
O1B J:ANP600 4.4 83.5 1.0
PA J:ANP600 4.5 89.3 1.0
O2A J:ANP600 4.5 90.8 1.0
OD2 J:ASP261 4.6 0.8 1.0
CD J:GLN200 4.9 99.0 1.0

Magnesium binding site 7 out of 16 in 3oaa

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Magnesium binding site 7 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg601

b:44.1
occ:1.00
OG1 K:THR176 2.0 55.1 1.0
O2G K:ANP600 2.0 88.0 1.0
O2B K:ANP600 2.1 81.4 1.0
CB K:THR176 3.0 57.9 1.0
PB K:ANP600 3.4 63.2 1.0
PG K:ANP600 3.4 0.8 1.0
CG2 K:THR176 3.9 58.2 1.0
N3B K:ANP600 3.9 96.5 1.0
O3G K:ANP600 4.0 0.3 1.0
CA K:THR176 4.1 62.5 1.0
N K:THR176 4.1 62.2 1.0
O2A K:ANP600 4.2 85.5 1.0
OD2 K:ASP261 4.2 93.0 1.0
OD1 K:ASP261 4.2 84.0 1.0
O1B K:ANP600 4.4 70.8 1.0
O1G K:ANP600 4.5 0.5 1.0
O3A K:ANP600 4.6 80.1 1.0
CG K:ASP261 4.7 88.0 1.0
PA K:ANP600 4.8 80.7 1.0
O1A K:ANP600 4.8 86.9 1.0

Magnesium binding site 8 out of 16 in 3oaa

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Magnesium binding site 8 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg601

b:66.5
occ:1.00
O3 L:SO4630 2.0 84.0 1.0
OG1 L:THR156 2.1 0.1 1.0
O2B L:ADP600 2.3 94.6 1.0
S L:SO4630 3.1 84.2 1.0
O4 L:SO4630 3.2 85.5 1.0
OE2 L:GLU185 3.2 0.6 1.0
CB L:THR156 3.3 0.3 1.0
O2A L:ADP600 3.7 84.8 1.0
PB L:ADP600 3.7 88.4 1.0
OE1 L:GLU185 3.7 0.1 1.0
NH2 L:ARG182 3.8 92.5 1.0
CD L:GLU185 3.9 0.6 1.0
O1 L:SO4630 4.0 83.7 1.0
O1B L:ADP600 4.1 86.9 1.0
O2 L:SO4630 4.2 81.6 1.0
OD2 L:ASP242 4.2 0.8 1.0
CG2 L:THR156 4.2 0.7 1.0
NH1 K:ARG376 4.3 71.2 1.0
N L:THR156 4.3 97.2 1.0
CA L:THR156 4.4 0.4 1.0
PA L:ADP600 4.5 84.4 1.0
O3A L:ADP600 4.6 84.1 1.0
O3B L:ADP600 4.7 88.2 1.0
O1A L:ADP600 4.8 85.7 1.0
NZ L:LYS155 4.8 72.0 1.0
OD1 L:ASP242 4.9 0.1 1.0
NH2 L:ARG246 4.9 0.3 1.0
CZ L:ARG182 4.9 92.8 1.0
CG L:ASP242 4.9 0.8 1.0

Magnesium binding site 9 out of 16 in 3oaa

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Magnesium binding site 9 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mg601

b:64.3
occ:1.00
O2G Q:ANP600 2.0 0.2 1.0
OG1 Q:THR176 2.1 20.0 1.0
O2B Q:ANP600 2.2 0.8 1.0
CB Q:THR176 3.1 20.0 1.0
PG Q:ANP600 3.6 0.1 1.0
PB Q:ANP600 3.6 87.4 1.0
OD1 Q:ASP261 3.7 82.9 1.0
OD2 Q:ASP261 3.8 84.6 1.0
CG2 Q:THR176 3.9 20.0 1.0
OE1 Q:GLN200 4.1 0.5 1.0
CG Q:ASP261 4.2 84.3 1.0
N3B Q:ANP600 4.2 98.7 1.0
NE2 Q:GLN200 4.3 97.8 1.0
O3G Q:ANP600 4.3 0.3 1.0
CA Q:THR176 4.3 72.9 1.0
N Q:THR176 4.3 69.8 1.0
O1B Q:ANP600 4.5 90.0 1.0
O1G Q:ANP600 4.5 0.1 1.0
CD Q:GLN200 4.5 0.9 1.0
O2A Q:ANP600 4.7 97.0 1.0
OD1 Q:ASP262 4.7 0.3 1.0
O3A Q:ANP600 4.9 95.0 1.0

Magnesium binding site 10 out of 16 in 3oaa

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Magnesium binding site 10 out of 16 in the Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Structure of the E.Coli F1-Atp Synthase Inhibited By Subunit Epsilon within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Mg601

b:0.1
occ:1.00
O2G R:ANP600 2.0 97.7 1.0
OG1 R:THR176 2.1 93.3 1.0
O2B R:ANP600 2.2 0.7 1.0
PG R:ANP600 2.9 0.4 1.0
CB R:THR176 3.0 93.0 1.0
O3G R:ANP600 3.0 0.1 1.0
PB R:ANP600 3.2 91.3 1.0
N3B R:ANP600 3.5 92.3 1.0
OE1 R:GLN200 3.7 0.9 1.0
CG2 R:THR176 3.8 93.7 1.0
O1A R:ANP600 3.9 97.7 1.0
CA R:THR176 4.2 91.4 1.0
O1G R:ANP600 4.3 0.4 1.0
N R:THR176 4.3 86.3 1.0
O3A R:ANP600 4.4 0.6 1.0
O1B R:ANP600 4.4 91.0 1.0
PA R:ANP600 4.5 95.7 1.0
O2A R:ANP600 4.5 93.3 1.0
OD2 R:ASP261 4.6 0.4 1.0
CD R:GLN200 4.9 0.5 1.0

Reference:

G.Cingolani, T.M.Duncan. Structural Basis For Inhibition of Bacterial Atp Synthase By Subunit Epsilon of the Rotor Stalk To Be Published.
Page generated: Mon Dec 14 08:31:43 2020

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