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Bromine in PDB 7jgc: Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region

Bromine Binding Sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region (pdb code 7jgc). 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 Fo Region, PDB code: 7jgc:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 7jgc

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Bromine binding site 1 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Br601

b:68.2
occ:1.00
 BR 1:BQ1601 0.0 68.2 1.0
C35 1:BQ1601 1.9 68.2 1.0
C33 1:BQ1601 2.9 68.2 1.0
C36 1:BQ1601 2.9 68.2 1.0
C32 9:BQ1601 3.6 66.2 1.0
C27 9:BQ1601 3.9 66.2 1.0
CA 1:ALA66 4.2 65.1 1.0
C34 1:BQ1601 4.2 68.2 1.0
C22 1:BQ1601 4.2 68.2 1.0
CB 1:ALA66 4.3 65.1 1.0
CD2 1:PHE69 4.4 64.4 1.0
O 1:ALA66 4.6 65.1 1.0
C30 9:BQ1601 4.7 66.2 1.0
C24 1:BQ1601 4.8 68.2 1.0
C 1:ALA66 5.0 65.1 1.0
CE2 1:PHE69 5.0 64.4 1.0

Bromine binding site 2 out of 7 in 7jgc

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Bromine binding site 2 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Br601

b:67.1
occ:1.00
 BR 4:BQ1601 0.0 67.1 1.0
C35 4:BQ1601 1.9 67.1 1.0
C33 4:BQ1601 2.9 67.1 1.0
C36 4:BQ1601 2.9 67.1 1.0
CD2 a:PHE221 3.4 68.5 1.0
CB 4:ALA66 3.4 64.1 1.0
CA 4:ALA66 3.5 64.1 1.0
CB a:PHE221 3.5 68.5 1.0
CG a:PHE221 3.5 68.5 1.0
N 4:ALA66 4.0 64.1 1.0
CE2 a:PHE221 4.2 68.5 1.0
C34 4:BQ1601 4.2 67.1 1.0
C22 4:BQ1601 4.3 67.1 1.0
O 4:GLY62 4.4 63.5 1.0
CD1 a:PHE221 4.5 68.5 1.0
C 4:GLU65 4.7 64.5 1.0
CE3 a:TRP218 4.7 68.0 1.0
CG1 a:VAL217 4.7 68.1 1.0
O 4:GLU65 4.7 64.5 1.0
C 4:ALA66 4.8 64.1 1.0
C24 4:BQ1601 4.8 67.1 1.0
O a:VAL217 4.8 68.1 1.0
CD2 4:PHE69 4.9 65.5 1.0
CZ3 a:TRP218 4.9 68.0 1.0
CA a:PHE221 5.0 68.5 1.0

Bromine binding site 3 out of 7 in 7jgc

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Bromine binding site 3 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
5:Br601

b:63.5
occ:1.00
 BR 5:BQ1601 0.0 63.5 1.0
C35 5:BQ1601 1.9 63.5 1.0
C36 5:BQ1601 2.9 63.5 1.0
C33 5:BQ1601 2.9 63.5 1.0
CB 5:ALA66 3.9 62.2 1.0
C34 5:BQ1601 4.2 63.5 1.0
C22 5:BQ1601 4.3 63.5 1.0
CA 5:ALA66 4.5 62.2 1.0
C32 4:BQ1601 4.6 67.1 1.0
C24 5:BQ1601 4.8 63.5 1.0
C30 4:BQ1601 4.8 67.1 1.0

Bromine binding site 4 out of 7 in 7jgc

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Bromine binding site 4 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
6:Br601

b:64.7
occ:1.00
 BR 6:BQ1601 0.0 64.7 1.0
C35 6:BQ1601 1.9 64.7 1.0
C36 6:BQ1601 2.9 64.7 1.0
C33 6:BQ1601 2.9 64.7 1.0
CB 6:ALA66 3.5 62.6 1.0
C32 5:BQ1601 4.0 63.5 1.0
CA 6:ALA66 4.0 62.6 1.0
C34 6:BQ1601 4.2 64.7 1.0
C22 6:BQ1601 4.3 64.7 1.0
C27 5:BQ1601 4.5 63.5 1.0
CD2 6:PHE69 4.8 61.1 1.0
C24 6:BQ1601 4.8 64.7 1.0
C30 5:BQ1601 4.8 63.5 1.0
N 6:ALA66 5.0 62.6 1.0

Bromine binding site 5 out of 7 in 7jgc

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Bromine binding site 5 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
7:Br601

b:64.4
occ:1.00
 BR 7:BQ1601 0.0 64.4 1.0
C35 7:BQ1601 1.9 64.4 1.0
C33 7:BQ1601 2.9 64.4 1.0
C36 7:BQ1601 2.9 64.4 1.0
CA 7:ALA66 3.7 62.6 1.0
CB 7:ALA66 3.9 62.6 1.0
C34 7:BQ1601 4.2 64.4 1.0
C27 6:BQ1601 4.2 64.7 1.0
C22 7:BQ1601 4.3 64.4 1.0
O 7:ALA66 4.3 62.6 1.0
C32 6:BQ1601 4.3 64.7 1.0
C 7:ALA66 4.5 62.6 1.0
N 7:ALA66 4.6 62.6 1.0
C24 7:BQ1601 4.8 64.4 1.0
CB 7:PHE69 4.9 61.9 1.0
O 7:GLU65 4.9 63.1 1.0

Bromine binding site 6 out of 7 in 7jgc

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Bromine binding site 6 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
8:Br601

b:65.9
occ:1.00
 BR 8:BQ1601 0.0 65.9 1.0
C35 8:BQ1601 1.9 65.9 1.0
C33 8:BQ1601 2.9 65.9 1.0
C36 8:BQ1601 2.9 65.9 1.0
CB 8:ALA66 3.4 64.0 1.0
CA 8:ALA66 3.7 64.0 1.0
O 8:GLY62 3.9 63.8 1.0
C32 7:BQ1601 4.1 64.4 1.0
C34 8:BQ1601 4.2 65.9 1.0
C22 8:BQ1601 4.3 65.9 1.0
N 8:ALA66 4.3 64.0 1.0
C27 7:BQ1601 4.6 64.4 1.0
C24 8:BQ1601 4.8 65.9 1.0
C30 7:BQ1601 4.8 64.4 1.0
C 8:ALA66 5.0 64.0 1.0

Bromine binding site 7 out of 7 in 7jgc

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Bromine binding site 7 out of 7 in the Cryo-Em Structure of Bedaquiline-Saturated Mycobacterium Smegmatis Atp Synthase Fo Region


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 Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
9:Br601

b:66.2
occ:1.00
 BR 9:BQ1601 0.0 66.2 1.0
C35 9:BQ1601 1.9 66.2 1.0
C36 9:BQ1601 2.9 66.2 1.0
C33 9:BQ1601 2.9 66.2 1.0
CB 9:ALA66 3.5 63.8 1.0
CA 9:ALA66 3.7 63.8 1.0
C32 8:BQ1601 3.7 65.9 1.0
C34 9:BQ1601 4.2 66.2 1.0
C22 9:BQ1601 4.3 66.2 1.0
C27 8:BQ1601 4.3 65.9 1.0
O 9:ALA66 4.4 63.8 1.0
C30 8:BQ1601 4.5 65.9 1.0
C 9:ALA66 4.6 63.8 1.0
C24 9:BQ1601 4.8 66.2 1.0
N 9:ALA66 4.8 63.8 1.0
CD2 9:PHE69 4.9 63.2 1.0
O 9:GLY62 5.0 63.6 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 03:59:31 2024

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