Bromine in PDB 7jg9: Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Enzymatic activity of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
All present enzymatic activity of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model):
7.1.2.2;
Bromine Binding Sites:
The binding sites of Bromine atom in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
(pdb code 7jg9). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the
Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model), PDB code: 7jg9:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
Bromine binding site 1 out
of 7 in 7jg9
Go back to
Bromine Binding Sites List in 7jg9
Bromine binding site 1 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
1:Br601
b:98.6
occ:1.00
|
BR
|
1:BQ1601
|
0.0
|
98.6
|
1.0
|
C35
|
1:BQ1601
|
1.9
|
98.6
|
1.0
|
C33
|
1:BQ1601
|
2.9
|
98.6
|
1.0
|
C36
|
1:BQ1601
|
2.9
|
98.6
|
1.0
|
CA
|
1:ALA66
|
3.8
|
87.4
|
1.0
|
C34
|
1:BQ1601
|
4.2
|
98.6
|
1.0
|
C22
|
1:BQ1601
|
4.3
|
98.6
|
1.0
|
C32
|
1:BQ1602
|
4.3
|
87.4
|
1.0
|
N
|
1:ALA66
|
4.4
|
87.4
|
1.0
|
C27
|
1:BQ1602
|
4.4
|
87.4
|
1.0
|
C24
|
1:BQ1601
|
4.8
|
98.6
|
1.0
|
O
|
1:GLY62
|
4.9
|
83.4
|
1.0
|
|
Bromine binding site 2 out
of 7 in 7jg9
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Bromine Binding Sites List in 7jg9
Bromine binding site 2 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
1:Br602
b:87.4
occ:1.00
|
BR
|
1:BQ1602
|
0.0
|
87.4
|
1.0
|
C35
|
1:BQ1602
|
1.9
|
87.4
|
1.0
|
C33
|
1:BQ1602
|
2.9
|
87.4
|
1.0
|
C36
|
1:BQ1602
|
2.9
|
87.4
|
1.0
|
CA
|
9:ALA66
|
3.5
|
79.7
|
1.0
|
C34
|
1:BQ1602
|
4.2
|
87.4
|
1.0
|
C22
|
1:BQ1602
|
4.3
|
87.4
|
1.0
|
O
|
9:ALA66
|
4.3
|
79.7
|
1.0
|
C
|
9:ALA66
|
4.4
|
79.7
|
1.0
|
N
|
9:ALA66
|
4.5
|
79.7
|
1.0
|
C27
|
9:BQ1601
|
4.7
|
91.0
|
1.0
|
C24
|
1:BQ1602
|
4.8
|
87.4
|
1.0
|
O
|
9:GLU65
|
4.9
|
81.1
|
1.0
|
|
Bromine binding site 3 out
of 7 in 7jg9
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Bromine Binding Sites List in 7jg9
Bromine binding site 3 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
2:Br601
b:92.3
occ:1.00
|
BR
|
2:BQ1601
|
0.0
|
92.3
|
1.0
|
C35
|
2:BQ1601
|
1.9
|
92.3
|
1.0
|
C33
|
2:BQ1601
|
2.9
|
92.3
|
1.0
|
C36
|
2:BQ1601
|
2.9
|
92.3
|
1.0
|
C32
|
1:BQ1601
|
3.7
|
98.6
|
1.0
|
CA
|
2:ALA66
|
3.9
|
84.9
|
1.0
|
C34
|
2:BQ1601
|
4.2
|
92.3
|
1.0
|
C27
|
1:BQ1601
|
4.2
|
98.6
|
1.0
|
C22
|
2:BQ1601
|
4.2
|
92.3
|
1.0
|
C30
|
1:BQ1601
|
4.6
|
98.6
|
1.0
|
C24
|
2:BQ1601
|
4.8
|
92.3
|
1.0
|
O
|
2:ALA66
|
4.8
|
84.9
|
1.0
|
C
|
2:ALA66
|
4.8
|
84.9
|
1.0
|
N
|
2:ALA66
|
4.9
|
84.9
|
1.0
|
|
Bromine binding site 4 out
of 7 in 7jg9
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Bromine Binding Sites List in 7jg9
Bromine binding site 4 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
3:Br601
b:94.0
occ:1.00
|
BR
|
3:BQ1601
|
0.0
|
94.0
|
1.0
|
C35
|
3:BQ1601
|
1.9
|
94.0
|
1.0
|
C33
|
3:BQ1601
|
2.9
|
94.0
|
1.0
|
C36
|
3:BQ1601
|
2.9
|
94.0
|
1.0
|
C32
|
2:BQ1601
|
3.6
|
92.3
|
1.0
|
C27
|
2:BQ1601
|
3.6
|
92.3
|
1.0
|
CA
|
3:ALA66
|
3.7
|
86.1
|
1.0
|
C34
|
3:BQ1601
|
4.2
|
94.0
|
1.0
|
C22
|
3:BQ1601
|
4.3
|
94.0
|
1.0
|
O
|
3:ALA66
|
4.5
|
86.1
|
1.0
|
C30
|
2:BQ1601
|
4.6
|
92.3
|
1.0
|
C
|
3:ALA66
|
4.6
|
86.1
|
1.0
|
C16
|
2:BQ1601
|
4.7
|
92.3
|
1.0
|
C24
|
3:BQ1601
|
4.8
|
94.0
|
1.0
|
N
|
3:ALA66
|
4.8
|
86.1
|
1.0
|
|
Bromine binding site 5 out
of 7 in 7jg9
Go back to
Bromine Binding Sites List in 7jg9
Bromine binding site 5 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
6:Br601
b:91.1
occ:1.00
|
BR
|
6:BQ1601
|
0.0
|
91.1
|
1.0
|
C35
|
6:BQ1601
|
1.9
|
91.1
|
1.0
|
C33
|
6:BQ1601
|
2.9
|
91.1
|
1.0
|
C36
|
6:BQ1601
|
2.9
|
91.1
|
1.0
|
CA
|
6:ALA66
|
3.4
|
83.1
|
1.0
|
N
|
6:ALA66
|
3.9
|
83.1
|
1.0
|
C34
|
6:BQ1601
|
4.2
|
91.1
|
1.0
|
C22
|
6:BQ1601
|
4.2
|
91.1
|
1.0
|
CA
|
a:PHE221
|
4.3
|
92.8
|
1.0
|
O
|
6:GLU65
|
4.4
|
84.8
|
1.0
|
O
|
a:PHE221
|
4.4
|
92.8
|
1.0
|
C
|
6:GLU65
|
4.4
|
84.8
|
1.0
|
C
|
a:PHE221
|
4.4
|
92.8
|
1.0
|
C
|
6:ALA66
|
4.6
|
83.1
|
1.0
|
O
|
6:GLY62
|
4.7
|
79.8
|
1.0
|
C24
|
6:BQ1601
|
4.8
|
91.1
|
1.0
|
O
|
6:ALA66
|
4.8
|
83.1
|
1.0
|
|
Bromine binding site 6 out
of 7 in 7jg9
Go back to
Bromine Binding Sites List in 7jg9
Bromine binding site 6 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
8:Br601
b:92.1
occ:1.00
|
BR
|
8:BQ1601
|
0.0
|
92.1
|
1.0
|
C35
|
8:BQ1601
|
1.9
|
92.1
|
1.0
|
C33
|
8:BQ1601
|
2.9
|
92.1
|
1.0
|
C36
|
8:BQ1601
|
2.9
|
92.1
|
1.0
|
CA
|
7:ALA66
|
4.0
|
81.8
|
1.0
|
C34
|
8:BQ1601
|
4.2
|
92.1
|
1.0
|
C22
|
8:BQ1601
|
4.2
|
92.1
|
1.0
|
C32
|
6:BQ1601
|
4.6
|
91.1
|
1.0
|
C24
|
8:BQ1601
|
4.8
|
92.1
|
1.0
|
C30
|
6:BQ1601
|
4.8
|
91.1
|
1.0
|
N
|
7:ALA66
|
4.9
|
81.8
|
1.0
|
|
Bromine binding site 7 out
of 7 in 7jg9
Go back to
Bromine Binding Sites List in 7jg9
Bromine binding site 7 out
of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model)
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Rotational State 2 (Backbone Model) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
9:Br601
b:91.0
occ:1.00
|
BR
|
9:BQ1601
|
0.0
|
91.0
|
1.0
|
C35
|
9:BQ1601
|
1.9
|
91.0
|
1.0
|
C36
|
9:BQ1601
|
2.9
|
91.0
|
1.0
|
C33
|
9:BQ1601
|
2.9
|
91.0
|
1.0
|
CA
|
8:ALA66
|
3.9
|
82.6
|
1.0
|
C32
|
8:BQ1601
|
4.0
|
92.1
|
1.0
|
C34
|
9:BQ1601
|
4.2
|
91.0
|
1.0
|
C22
|
9:BQ1601
|
4.3
|
91.0
|
1.0
|
C27
|
8:BQ1601
|
4.3
|
92.1
|
1.0
|
O
|
8:ALA66
|
4.6
|
82.6
|
1.0
|
C24
|
9:BQ1601
|
4.8
|
91.0
|
1.0
|
C
|
8:ALA66
|
4.8
|
82.6
|
1.0
|
C30
|
8:BQ1601
|
4.8
|
92.1
|
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: Sat Dec 12 02:46:04 2020
|