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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

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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 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 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 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

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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

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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

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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: Thu Jul 11 03:59:17 2024

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