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Magnesium in PDB 8jr0: Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587

Enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587

All present enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587:
7.1.2.2;

Other elements in 8jr0:

The structure of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 also contains other interesting chemical elements:

Bromine (Br) 7 atoms
Fluorine (F) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 (pdb code 8jr0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587, PDB code: 8jr0:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 8jr0

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Magnesium binding site 1 out of 5 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:49.6
occ:1.00
 OG1 A:THR179 2.0 47.6 1.0
O1G A:ATP600 2.1 17.1 1.0
O1B A:ATP600 2.1 17.1 1.0
PG A:ATP600 3.3 17.1 1.0
PB A:ATP600 3.3 17.1 1.0
CB A:THR179 3.3 47.6 1.0
O3G A:ATP600 3.6 17.1 1.0
O3B A:ATP600 3.7 17.1 1.0
OD2 A:ASP272 3.9 43.1 1.0
O2B A:ATP600 3.9 17.1 1.0
OD1 A:ASP272 4.0 43.1 1.0
CG2 A:THR179 4.2 47.6 1.0
N A:THR179 4.2 47.6 1.0
CA A:THR179 4.3 47.6 1.0
CG A:ASP272 4.4 43.1 1.0
O1A A:ATP600 4.5 17.1 1.0
O2G A:ATP600 4.6 17.1 1.0
OE2 A:GLU331 4.6 48.3 1.0
O3A A:ATP600 4.6 17.1 1.0
OD2 A:ASP273 4.6 44.3 1.0
PA A:ATP600 4.9 17.1 1.0

Magnesium binding site 2 out of 5 in 8jr0

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Magnesium binding site 2 out of 5 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:59.5
occ:1.00
 OG1 B:THR179 2.0 54.5 1.0
O1B B:ATP600 2.2 21.0 1.0
O1G B:ATP600 2.2 21.0 1.0
PG B:ATP600 3.2 21.0 1.0
CB B:THR179 3.3 54.5 1.0
OE1 B:GLN211 3.4 51.7 1.0
O3G B:ATP600 3.4 21.0 1.0
PB B:ATP600 3.4 21.0 1.0
OD1 B:ASP272 3.7 51.4 1.0
O3B B:ATP600 3.8 21.0 1.0
CG2 B:THR179 3.9 54.5 1.0
O2B B:ATP600 4.2 21.0 1.0
O1A B:ATP600 4.3 21.0 1.0
OD2 B:ASP272 4.4 51.4 1.0
CA B:THR179 4.4 54.5 1.0
N B:THR179 4.4 54.5 1.0
CG B:ASP272 4.5 51.4 1.0
CD B:GLN211 4.5 51.7 1.0
O2G B:ATP600 4.6 21.0 1.0
O3A B:ATP600 4.7 21.0 1.0
PA B:ATP600 4.9 21.0 1.0
CG2 B:THR215 4.9 52.4 1.0

Magnesium binding site 3 out of 5 in 8jr0

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Magnesium binding site 3 out of 5 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:56.6
occ:1.00
 O1B C:ATP600 1.9 22.4 1.0
OG1 C:THR179 2.1 51.0 1.0
O1G C:ATP600 2.4 22.4 1.0
CB C:THR179 3.1 51.0 1.0
PB C:ATP600 3.2 22.4 1.0
PG C:ATP600 3.4 22.4 1.0
O3G C:ATP600 3.6 22.4 1.0
O3B C:ATP600 3.8 22.4 1.0
CG2 C:THR179 3.9 51.0 1.0
O2B C:ATP600 4.0 22.4 1.0
OD2 C:ASP272 4.1 46.9 1.0
O1A C:ATP600 4.1 22.4 1.0
N C:THR179 4.2 51.0 1.0
CA C:THR179 4.3 51.0 1.0
OD1 C:ASP272 4.4 46.9 1.0
O3A C:ATP600 4.4 22.4 1.0
PA C:ATP600 4.6 22.4 1.0
CG C:ASP272 4.6 46.9 1.0
O2G C:ATP600 4.8 22.4 1.0
O2A C:ATP600 4.8 22.4 1.0
NE2 C:GLN211 4.9 49.8 1.0

Magnesium binding site 4 out of 5 in 8jr0

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Magnesium binding site 4 out of 5 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:55.4
occ:1.00
 O3B D:ADP600 1.7 16.7 1.0
OG1 D:THR178 1.8 52.0 1.0
PB D:ADP600 3.1 16.7 1.0
CB D:THR178 3.1 52.0 1.0
OE1 D:GLU203 3.5 51.8 1.0
O2B D:ADP600 3.7 16.7 1.0
N D:THR178 3.8 52.0 1.0
CA D:THR178 3.9 52.0 1.0
OD1 D:ASP265 4.0 51.1 1.0
O1B D:ADP600 4.0 16.7 1.0
NH1 D:ARG204 4.0 50.6 1.0
CG2 D:THR178 4.2 52.0 1.0
O3A D:ADP600 4.2 16.7 1.0
OE1 D:GLU207 4.2 54.4 1.0
CD D:GLU203 4.3 51.8 1.0
OE2 D:GLU207 4.3 54.4 1.0
NH1 C:ARG376 4.4 51.5 1.0
OD2 D:ASP265 4.4 51.1 1.0
O2A D:ADP600 4.4 16.7 1.0
CG D:ASP265 4.6 51.1 1.0
CB D:LYS177 4.7 49.9 1.0
PA D:ADP600 4.7 16.7 1.0
CD D:GLU207 4.7 54.4 1.0
CE D:LYS177 4.7 49.9 1.0
C D:LYS177 4.8 49.9 1.0
NZ D:LYS177 4.8 49.9 1.0
OE2 D:GLU203 4.8 51.8 1.0
O1A D:ADP600 4.9 16.7 1.0

Magnesium binding site 5 out of 5 in 8jr0

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Magnesium binding site 5 out of 5 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg601

b:51.1
occ:1.00
 O3B F:ADP600 1.8 15.2 1.0
OG1 F:THR178 2.0 51.0 1.0
PB F:ADP600 3.1 15.2 1.0
CB F:THR178 3.5 51.0 1.0
OE1 F:GLU203 3.5 49.5 1.0
O2B F:ADP600 3.5 15.2 1.0
CD F:GLU203 3.9 49.5 1.0
NH1 F:ARG204 3.9 50.2 1.0
N F:THR178 4.0 51.0 1.0
O3A F:ADP600 4.1 15.2 1.0
O1B F:ADP600 4.1 15.2 1.0
OE1 F:GLU207 4.2 52.6 1.0
OE2 F:GLU203 4.2 49.5 1.0
CA F:THR178 4.3 51.0 1.0
CG2 F:THR178 4.3 51.0 1.0
ND2 F:ASN266 4.3 46.8 1.0
OD1 F:ASP265 4.3 45.9 1.0
OE2 F:GLU207 4.4 52.6 1.0
O2A F:ADP600 4.5 15.2 1.0
CG F:GLU203 4.7 49.5 1.0
CD F:GLU207 4.7 52.6 1.0
OD2 F:ASP265 4.7 45.9 1.0
CB F:LYS177 4.8 49.1 1.0
CE F:LYS177 4.8 49.1 1.0
PA F:ADP600 4.9 15.2 1.0
CG F:ASP265 5.0 45.9 1.0
C F:LYS177 5.0 49.1 1.0

Reference:

Y.Zhang, Y.Lai, F.Liu, Z.Rao, H.Gong. Structure of Mycobacterium Tuberculosis Atp Synthase To Be Published.
Page generated: Fri Oct 4 13:17:09 2024

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