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Bromine in PDB 8g0b: Cryo-Em Structure of Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region

Bromine Binding Sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region (pdb code 8g0b). 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region, PDB code: 8g0b:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 8g0b

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Bromine binding site 1 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Br601

b:31.7
occ:1.00
 BR3 1:YGR601 0.0 31.7 1.0
C38 1:YGR601 1.9 31.7 1.0
C37 1:YGR601 2.9 31.7 1.0
C40 1:YGR601 2.9 31.7 1.0
C33 9:YGR601 3.6 33.8 1.0
CB 1:ALA66 3.8 29.3 1.0
CA 1:ALA66 4.0 29.3 1.0
C41 1:YGR601 4.2 31.7 1.0
O32 9:YGR601 4.2 33.8 1.0
C36 1:YGR601 4.2 31.7 1.0
CD2 1:PHE69 4.3 30.6 1.0
O 1:ALA66 4.7 29.3 1.0
C42 1:YGR601 4.7 31.7 1.0
C 1:ALA66 4.8 29.3 1.0
CB 1:PHE69 4.8 30.6 1.0
CG 1:PHE69 4.9 30.6 1.0
CE2 1:PHE69 4.9 30.6 1.0

Bromine binding site 2 out of 7 in 8g0b

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Bromine binding site 2 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Br601

b:33.8
occ:1.00
 BR3 4:YGR601 0.0 33.8 1.0
C38 4:YGR601 1.9 33.8 1.0
C37 4:YGR601 2.9 33.8 1.0
C40 4:YGR601 2.9 33.8 1.0
CB a:PHE221 3.4 36.6 1.0
CE3 a:TRP218 3.4 37.4 1.0
CZ3 a:TRP218 3.5 37.4 1.0
CA 4:ALA66 3.7 29.7 1.0
CB 4:ALA66 3.9 29.7 1.0
CG a:PHE221 4.0 36.6 1.0
C41 4:YGR601 4.2 33.8 1.0
C36 4:YGR601 4.2 33.8 1.0
CD2 a:PHE221 4.3 36.6 1.0
CB 4:PHE69 4.3 32.9 1.0
CG 4:PHE69 4.5 32.9 1.0
O a:TRP218 4.5 37.4 1.0
O 4:ALA66 4.6 29.7 1.0
N 4:ALA66 4.6 29.7 1.0
C 4:ALA66 4.7 29.7 1.0
CD2 a:TRP218 4.7 37.4 1.0
CA a:TRP218 4.7 37.4 1.0
CD1 4:PHE69 4.7 32.9 1.0
CA a:PHE221 4.7 36.6 1.0
C42 4:YGR601 4.7 33.8 1.0
CD1 a:PHE221 4.8 36.6 1.0
CH2 a:TRP218 4.8 37.4 1.0
O 4:GLU65 4.9 29.3 1.0
C a:PHE221 4.9 36.6 1.0
O a:VAL217 5.0 37.6 1.0

Bromine binding site 3 out of 7 in 8g0b

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Bromine binding site 3 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
5:Br601

b:33.0
occ:1.00
 BR3 5:YGR601 0.0 33.0 1.0
C38 5:YGR601 1.9 33.0 1.0
C40 5:YGR601 2.9 33.0 1.0
C37 5:YGR601 2.9 33.0 1.0
CB 5:ALA66 3.4 30.1 1.0
C33 4:YGR601 3.4 33.8 1.0
CA 5:ALA66 3.6 30.1 1.0
O32 4:YGR601 3.9 33.8 1.0
C41 5:YGR601 4.2 33.0 1.0
C36 5:YGR601 4.2 33.0 1.0
CD2 5:PHE69 4.4 31.8 1.0
N 5:ALA66 4.5 30.1 1.0
C 5:ALA66 4.6 30.1 1.0
O 5:ALA66 4.7 30.1 1.0
C42 5:YGR601 4.7 33.0 1.0
CB 5:PHE69 4.8 31.8 1.0
C31 4:YGR601 5.0 33.8 1.0
CG 5:PHE69 5.0 31.8 1.0

Bromine binding site 4 out of 7 in 8g0b

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Bromine binding site 4 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
6:Br601

b:33.0
occ:1.00
 BR3 6:YGR601 0.0 33.0 1.0
C38 6:YGR601 1.9 33.0 1.0
C37 6:YGR601 2.9 33.0 1.0
C40 6:YGR601 2.9 33.0 1.0
C33 5:YGR601 3.5 33.0 1.0
CB 6:ALA66 3.6 29.9 1.0
CA 6:ALA66 3.9 29.9 1.0
C41 6:YGR601 4.2 33.0 1.0
C36 6:YGR601 4.2 33.0 1.0
CD2 6:PHE69 4.7 31.7 1.0
C42 6:YGR601 4.7 33.0 1.0
O32 5:YGR601 4.8 33.0 1.0
C 6:ALA66 4.9 29.9 1.0
O 6:ALA66 4.9 29.9 1.0
N 6:ALA66 4.9 29.9 1.0

Bromine binding site 5 out of 7 in 8g0b

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Bromine binding site 5 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
7:Br601

b:33.8
occ:1.00
 BR3 7:YGR601 0.0 33.8 1.0
C38 7:YGR601 1.9 33.8 1.0
C37 7:YGR601 2.9 33.8 1.0
C40 7:YGR601 2.9 33.8 1.0
C29 6:YGR601 3.4 33.0 1.0
CB 7:ALA66 3.6 30.4 1.0
CA 7:ALA66 3.7 30.4 1.0
C41 7:YGR601 4.2 33.8 1.0
C36 7:YGR601 4.2 33.8 1.0
CD2 7:PHE69 4.4 32.0 1.0
N 7:ALA66 4.6 30.4 1.0
O28 6:YGR601 4.7 33.0 1.0
C42 7:YGR601 4.7 33.8 1.0
CB 7:PHE69 4.8 32.0 1.0
C 7:ALA66 4.8 30.4 1.0
O 7:ALA66 4.9 30.4 1.0
CG 7:PHE69 4.9 32.0 1.0

Bromine binding site 6 out of 7 in 8g0b

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Bromine binding site 6 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
8:Br601

b:33.4
occ:1.00
 BR3 8:YGR601 0.0 33.4 1.0
C38 8:YGR601 1.9 33.4 1.0
C37 8:YGR601 2.8 33.4 1.0
C40 8:YGR601 2.9 33.4 1.0
CB 8:ALA66 3.6 30.6 1.0
CA 8:ALA66 3.8 30.6 1.0
C33 7:YGR601 3.9 33.8 1.0
CD2 8:PHE69 4.0 31.9 1.0
C36 8:YGR601 4.1 33.4 1.0
C41 8:YGR601 4.2 33.4 1.0
O 8:ALA66 4.5 30.6 1.0
O32 7:YGR601 4.6 33.8 1.0
C 8:ALA66 4.6 30.6 1.0
C42 8:YGR601 4.7 33.4 1.0
CE2 8:PHE69 4.7 31.9 1.0
CB 8:PHE69 4.7 31.9 1.0
CG 8:PHE69 4.7 31.9 1.0
N 8:ALA66 4.9 30.6 1.0

Bromine binding site 7 out of 7 in 8g0b

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Bromine binding site 7 out of 7 in the Cryo-Em Structure of Tbaj-876-Bound 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 Tbaj-876-Bound Mycobacterium Smegmatis Atp Synthase Fo Region within 5.0Å range:
probe atom residue distance (Å) B Occ
9:Br601

b:33.8
occ:1.00
 BR3 9:YGR601 0.0 33.8 1.0
C38 9:YGR601 1.9 33.8 1.0
C37 9:YGR601 2.9 33.8 1.0
C40 9:YGR601 2.9 33.8 1.0
CB 9:ALA66 3.5 30.4 1.0
CA 9:ALA66 3.7 30.4 1.0
C41 9:YGR601 4.2 33.8 1.0
C29 8:YGR601 4.2 33.4 1.0
C36 9:YGR601 4.2 33.8 1.0
CD2 9:PHE69 4.2 31.5 1.0
O 9:ALA66 4.6 30.4 1.0
C 9:ALA66 4.6 30.4 1.0
CB 9:PHE69 4.6 31.5 1.0
O28 8:YGR601 4.6 33.4 1.0
N 9:ALA66 4.7 30.4 1.0
CG 9:PHE69 4.7 31.5 1.0
C42 9:YGR601 4.7 33.8 1.0
CE2 9:PHE69 5.0 31.5 1.0

Reference:

G.M.Gautier, J.L.Rubinstein. Structural Basis For Inhibition of Mycobacterial Atp Synthase By Squaramides and Second Generation Diarylquinolines To Be Published.
Page generated: Mon Jul 7 12:15:49 2025

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