Bromine 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 Binding Sites:
The binding sites of Bromine 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 Bromine atom.
In total 7 binding sites of Bromine where determined in the
Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587, PDB code: 8jr0:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
Bromine binding site 1 out
of 7 in 8jr0
Go back to
Bromine Binding Sites List in 8jr0
Bromine binding site 1 out
of 7 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 Bromine with other atoms in the Br 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
|
1:Br600
b:72.4
occ:1.00
|
BR37
|
1:UTI600
|
0.0
|
72.4
|
1.0
|
C33
|
1:UTI600
|
1.9
|
72.4
|
1.0
|
C34
|
1:UTI600
|
2.9
|
72.4
|
1.0
|
C32
|
1:UTI600
|
2.9
|
72.4
|
1.0
|
CD2
|
1:PHE65
|
3.8
|
65.2
|
1.0
|
C35
|
1:UTI600
|
4.2
|
72.4
|
1.0
|
C16
|
9:UTI600
|
4.2
|
72.8
|
1.0
|
C31
|
1:UTI600
|
4.2
|
72.4
|
1.0
|
CA
|
1:ALA62
|
4.2
|
59.0
|
1.0
|
CB
|
1:ALA62
|
4.2
|
59.0
|
1.0
|
CB
|
1:PHE65
|
4.5
|
65.2
|
1.0
|
CG
|
1:PHE65
|
4.5
|
65.2
|
1.0
|
CE2
|
1:PHE65
|
4.5
|
65.2
|
1.0
|
O15
|
9:UTI600
|
4.5
|
72.8
|
1.0
|
C30
|
1:UTI600
|
4.7
|
72.4
|
1.0
|
|
Bromine binding site 2 out
of 7 in 8jr0
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Bromine Binding Sites List in 8jr0
Bromine binding site 2 out
of 7 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 Bromine with other atoms in the Br 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
|
4:Br600
b:66.2
occ:1.00
|
BR37
|
4:UTI600
|
0.0
|
66.2
|
1.0
|
C33
|
4:UTI600
|
1.9
|
66.2
|
1.0
|
C34
|
4:UTI600
|
2.9
|
66.2
|
1.0
|
C32
|
4:UTI600
|
2.9
|
66.2
|
1.0
|
CA
|
4:ALA62
|
4.0
|
46.2
|
1.0
|
CD2
|
4:PHE65
|
4.1
|
56.0
|
1.0
|
CG2
|
a:ILE215
|
4.1
|
114.5
|
1.0
|
CB
|
4:ALA62
|
4.2
|
46.2
|
1.0
|
C31
|
4:UTI600
|
4.2
|
66.2
|
1.0
|
C35
|
4:UTI600
|
4.2
|
66.2
|
1.0
|
CB
|
a:PHE219
|
4.3
|
101.3
|
1.0
|
CG
|
a:PHE219
|
4.4
|
101.3
|
1.0
|
CD1
|
a:PHE219
|
4.5
|
101.3
|
1.0
|
CE3
|
a:TRP216
|
4.6
|
111.8
|
1.0
|
CB
|
4:PHE65
|
4.7
|
56.0
|
1.0
|
CG
|
4:PHE65
|
4.7
|
56.0
|
1.0
|
N
|
4:ALA62
|
4.7
|
46.2
|
1.0
|
C30
|
4:UTI600
|
4.7
|
66.2
|
1.0
|
CE2
|
4:PHE65
|
4.8
|
56.0
|
1.0
|
|
Bromine binding site 3 out
of 7 in 8jr0
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Bromine Binding Sites List in 8jr0
Bromine binding site 3 out
of 7 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 Bromine with other atoms in the Br 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
|
5:Br600
b:63.1
occ:1.00
|
BR37
|
5:UTI600
|
0.0
|
63.1
|
1.0
|
C33
|
5:UTI600
|
1.9
|
63.1
|
1.0
|
C34
|
5:UTI600
|
2.9
|
63.1
|
1.0
|
C32
|
5:UTI600
|
2.9
|
63.1
|
1.0
|
CB
|
5:ALA62
|
3.8
|
41.3
|
1.0
|
CA
|
5:ALA62
|
3.9
|
41.3
|
1.0
|
C16
|
4:UTI600
|
4.0
|
66.2
|
1.0
|
C31
|
5:UTI600
|
4.2
|
63.1
|
1.0
|
C35
|
5:UTI600
|
4.2
|
63.1
|
1.0
|
CD2
|
5:PHE65
|
4.4
|
48.3
|
1.0
|
O15
|
4:UTI600
|
4.5
|
66.2
|
1.0
|
N
|
5:ALA62
|
4.7
|
41.3
|
1.0
|
C30
|
5:UTI600
|
4.7
|
63.1
|
1.0
|
CB
|
5:PHE65
|
4.8
|
48.3
|
1.0
|
|
Bromine binding site 4 out
of 7 in 8jr0
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Bromine Binding Sites List in 8jr0
Bromine binding site 4 out
of 7 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 Bromine with other atoms in the Br 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
|
6:Br600
b:68.7
occ:1.00
|
BR37
|
6:UTI600
|
0.0
|
68.7
|
1.0
|
C33
|
6:UTI600
|
1.9
|
68.7
|
1.0
|
C32
|
6:UTI600
|
2.9
|
68.7
|
1.0
|
C34
|
6:UTI600
|
2.9
|
68.7
|
1.0
|
CB
|
6:ALA62
|
3.8
|
44.6
|
1.0
|
CA
|
6:ALA62
|
4.1
|
44.6
|
1.0
|
C31
|
6:UTI600
|
4.2
|
68.7
|
1.0
|
C35
|
6:UTI600
|
4.2
|
68.7
|
1.0
|
CD2
|
6:PHE65
|
4.3
|
50.0
|
1.0
|
C16
|
5:UTI600
|
4.4
|
63.1
|
1.0
|
O15
|
5:UTI600
|
4.4
|
63.1
|
1.0
|
C30
|
6:UTI600
|
4.7
|
68.7
|
1.0
|
CE2
|
6:PHE65
|
4.8
|
50.0
|
1.0
|
N
|
6:ALA62
|
4.9
|
44.6
|
1.0
|
|
Bromine binding site 5 out
of 7 in 8jr0
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Bromine Binding Sites List in 8jr0
Bromine binding site 5 out
of 7 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 Bromine with other atoms in the Br 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
|
7:Br600
b:72.8
occ:1.00
|
BR37
|
7:UTI600
|
0.0
|
72.8
|
1.0
|
C33
|
7:UTI600
|
1.9
|
72.8
|
1.0
|
C32
|
7:UTI600
|
2.9
|
72.8
|
1.0
|
C34
|
7:UTI600
|
2.9
|
72.8
|
1.0
|
C16
|
6:UTI600
|
3.6
|
68.7
|
1.0
|
CB
|
7:ALA62
|
4.1
|
48.1
|
1.0
|
CA
|
7:ALA62
|
4.1
|
48.1
|
1.0
|
C31
|
7:UTI600
|
4.2
|
72.8
|
1.0
|
C35
|
7:UTI600
|
4.2
|
72.8
|
1.0
|
CD2
|
7:PHE65
|
4.5
|
54.9
|
1.0
|
O15
|
6:UTI600
|
4.6
|
68.7
|
1.0
|
C30
|
7:UTI600
|
4.7
|
72.8
|
1.0
|
N
|
7:ALA62
|
4.9
|
48.1
|
1.0
|
CB
|
7:PHE65
|
5.0
|
54.9
|
1.0
|
|
Bromine binding site 6 out
of 7 in 8jr0
Go back to
Bromine Binding Sites List in 8jr0
Bromine binding site 6 out
of 7 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 Bromine with other atoms in the Br binding
site number 6 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
|
8:Br600
b:66.4
occ:1.00
|
BR37
|
8:UTI600
|
0.0
|
66.4
|
1.0
|
C33
|
8:UTI600
|
1.9
|
66.4
|
1.0
|
C34
|
8:UTI600
|
2.9
|
66.4
|
1.0
|
C32
|
8:UTI600
|
2.9
|
66.4
|
1.0
|
C16
|
7:UTI600
|
3.7
|
72.8
|
1.0
|
CB
|
8:ALA62
|
4.1
|
56.0
|
1.0
|
CA
|
8:ALA62
|
4.2
|
56.0
|
1.0
|
C31
|
8:UTI600
|
4.2
|
66.4
|
1.0
|
C35
|
8:UTI600
|
4.2
|
66.4
|
1.0
|
CD2
|
8:PHE65
|
4.5
|
61.2
|
1.0
|
O15
|
7:UTI600
|
4.6
|
72.8
|
1.0
|
CB
|
8:PHE65
|
4.6
|
61.2
|
1.0
|
C30
|
8:UTI600
|
4.7
|
66.4
|
1.0
|
CG
|
8:PHE65
|
4.8
|
61.2
|
1.0
|
N
|
8:ALA62
|
4.9
|
56.0
|
1.0
|
|
Bromine binding site 7 out
of 7 in 8jr0
Go back to
Bromine Binding Sites List in 8jr0
Bromine binding site 7 out
of 7 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 Bromine with other atoms in the Br binding
site number 7 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
|
9:Br600
b:72.8
occ:1.00
|
BR37
|
9:UTI600
|
0.0
|
72.8
|
1.0
|
C33
|
9:UTI600
|
1.9
|
72.8
|
1.0
|
C32
|
9:UTI600
|
2.9
|
72.8
|
1.0
|
C34
|
9:UTI600
|
2.9
|
72.8
|
1.0
|
CD2
|
9:PHE65
|
4.0
|
63.5
|
1.0
|
C16
|
8:UTI600
|
4.1
|
66.4
|
1.0
|
CB
|
9:ALA62
|
4.2
|
58.1
|
1.0
|
C31
|
9:UTI600
|
4.2
|
72.8
|
1.0
|
C35
|
9:UTI600
|
4.2
|
72.8
|
1.0
|
CA
|
9:ALA62
|
4.3
|
58.1
|
1.0
|
O15
|
8:UTI600
|
4.4
|
66.4
|
1.0
|
CE2
|
9:PHE65
|
4.7
|
63.5
|
1.0
|
C30
|
9:UTI600
|
4.7
|
72.8
|
1.0
|
CB
|
9:PHE65
|
4.8
|
63.5
|
1.0
|
CG
|
9:PHE65
|
4.9
|
63.5
|
1.0
|
|
Reference:
Y.Zhang,
Y.Lai,
F.Liu,
Z.Rao,
H.Gong.
Structure of Mycobacterium Tuberculosis Atp Synthase To Be Published.
Page generated: Thu Jul 11 05:22:30 2024
|