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Magnesium in PDB 7jga: Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3

Enzymatic activity of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3

All present enzymatic activity of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3:
7.1.2.2;

Other elements in 7jga:

The structure of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 also contains other interesting chemical elements:

Bromine (Br) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 (pdb code 7jga). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3, PDB code: 7jga:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7jga

Go back to Magnesium Binding Sites List in 7jga
Magnesium binding site 1 out of 4 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3


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 Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:75.4
occ:1.00
O1B A:ATP600 1.8 78.3 1.0
O1G A:ATP600 2.0 78.3 1.0
OG1 A:THR179 2.0 75.9 1.0
PG A:ATP600 2.9 78.3 1.0
PB A:ATP600 2.9 78.3 1.0
O3G A:ATP600 3.0 78.3 1.0
CB A:THR179 3.2 75.9 1.0
O3B A:ATP600 3.4 78.3 1.0
O2B A:ATP600 3.7 78.3 1.0
NE2 A:GLN211 3.8 74.4 1.0
CG2 A:THR179 3.9 75.9 1.0
O1A A:ATP600 4.0 78.3 1.0
OD2 A:ASP272 4.0 74.1 1.0
OD1 A:ASP272 4.2 74.1 1.0
O3A A:ATP600 4.2 78.3 1.0
O2G A:ATP600 4.3 78.3 1.0
CA A:THR179 4.3 75.9 1.0
N A:THR179 4.4 75.9 1.0
CG A:ASP272 4.5 74.1 1.0
PA A:ATP600 4.6 78.3 1.0
CD A:GLN211 4.8 74.4 1.0
OE1 A:GLN211 4.8 74.4 1.0

Magnesium binding site 2 out of 4 in 7jga

Go back to Magnesium Binding Sites List in 7jga
Magnesium binding site 2 out of 4 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3


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 Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:75.1
occ:1.00
O2B B:ATP600 2.0 82.2 1.0
O3G B:ATP600 2.0 82.2 1.0
OG1 B:THR179 2.1 75.3 1.0
OD2 B:ASP272 3.1 71.7 1.0
CB B:THR179 3.2 75.3 1.0
PB B:ATP600 3.2 82.2 1.0
PG B:ATP600 3.3 82.2 1.0
NE2 B:GLN211 3.4 73.7 1.0
O1B B:ATP600 3.7 82.2 1.0
O3B B:ATP600 3.8 82.2 1.0
OD1 B:ASP272 3.8 71.7 1.0
CG B:ASP272 3.9 71.7 1.0
O2G B:ATP600 3.9 82.2 1.0
CG2 B:THR179 4.0 75.3 1.0
CD B:GLN211 4.1 73.7 1.0
O1A B:ATP600 4.1 82.2 1.0
N B:THR179 4.3 75.3 1.0
CA B:THR179 4.3 75.3 1.0
O3A B:ATP600 4.5 82.2 1.0
O1G B:ATP600 4.5 82.2 1.0
OE1 B:GLN211 4.6 73.7 1.0
PA B:ATP600 4.8 82.2 1.0
CG2 B:THR215 4.8 74.1 1.0
CG B:GLN211 4.9 73.7 1.0

Magnesium binding site 3 out of 4 in 7jga

Go back to Magnesium Binding Sites List in 7jga
Magnesium binding site 3 out of 4 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3


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 Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:79.5
occ:1.00
O2B C:ATP600 1.8 76.4 1.0
O1B C:ATP600 2.1 76.4 1.0
OG1 C:THR179 2.1 73.3 1.0
O1G C:ATP600 2.1 76.4 1.0
PB C:ATP600 2.1 76.4 1.0
O3B C:ATP600 3.0 76.4 1.0
PG C:ATP600 3.1 76.4 1.0
CB C:THR179 3.4 73.3 1.0
O3A C:ATP600 3.6 76.4 1.0
O2G C:ATP600 3.8 76.4 1.0
O1A C:ATP600 3.9 76.4 1.0
OD2 C:ASP272 4.0 72.1 1.0
OD1 C:ASP272 4.1 72.1 1.0
N C:THR179 4.2 73.3 1.0
CG2 C:THR179 4.2 73.3 1.0
PA C:ATP600 4.3 76.4 1.0
NE2 C:GLN211 4.3 72.4 1.0
O3G C:ATP600 4.3 76.4 1.0
CA C:THR179 4.4 73.3 1.0
CG C:ASP272 4.5 72.1 1.0
NZ C:LYS178 4.6 73.9 1.0
O2A C:ATP600 4.6 76.4 1.0
CE C:LYS178 4.8 73.9 1.0
OD1 C:ASP273 4.9 73.5 1.0
OD2 C:ASP273 4.9 73.5 1.0

Magnesium binding site 4 out of 4 in 7jga

Go back to Magnesium Binding Sites List in 7jga
Magnesium binding site 4 out of 4 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3


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 Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg601

b:75.4
occ:1.00
OG1 E:THR167 2.1 76.8 1.0
OE2 E:GLU192 2.1 76.0 1.0
O2B E:ADP600 2.2 77.4 1.0
O3B E:ADP600 2.5 77.4 1.0
PB E:ADP600 2.8 77.4 1.0
CD E:GLU192 3.2 76.0 1.0
CB E:THR167 3.4 76.8 1.0
O3A E:ADP600 3.9 77.4 1.0
NH1 E:ARG193 3.9 74.5 1.0
N E:THR167 4.0 76.8 1.0
OE1 E:GLU192 4.0 76.0 1.0
CG E:GLU192 4.1 76.0 1.0
O1B E:ADP600 4.1 77.4 1.0
CA E:THR167 4.3 76.8 1.0
O2A E:ADP600 4.3 77.4 1.0
NZ E:LYS166 4.3 75.2 1.0
CE E:LYS166 4.3 75.2 1.0
CG2 E:THR167 4.4 76.8 1.0
PA E:ADP600 4.5 77.4 1.0
CB E:LYS166 4.7 75.2 1.0
O1A E:ADP600 4.8 77.4 1.0
CZ E:ARG193 4.8 74.5 1.0
C E:LYS166 5.0 75.2 1.0

Reference:

H.Guo, G.M.Courbon, S.A.Bueler, J.Mai, J.Liu, J.L.Rubinstein. Structure of Mycobacterial Atp Synthase with the Tb Drug Bedaquiline Biorxiv 2020.
DOI: 10.1101/2020.08.06.225375
Page generated: Wed Oct 2 21:51:21 2024

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