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:
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
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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
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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
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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
|