Bromine in PDB 8j57: Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)

Bromine Binding Sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq) (pdb code 8j57). 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 Fo in Complex with Bedaquiline(Bdq), PDB code: 8j57:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 8j57

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Bromine binding site 1 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Br600

b:40.2
occ:1.00
 BR 1:BQ1600 0.0 40.2 1.0
C35 1:BQ1600 1.9 40.2 1.0
C33 1:BQ1600 2.9 40.2 1.0
C36 1:BQ1600 2.9 40.2 1.0
CA 1:ALA62 4.1 40.4 1.0
CB 1:ALA62 4.2 40.4 1.0
C22 1:BQ1600 4.2 40.2 1.0
C34 1:BQ1600 4.2 40.2 1.0
CD2 1:PHE65 4.2 44.0 1.0
C32 9:BQ1600 4.5 46.0 1.0
CB 1:PHE65 4.5 44.0 1.0
CG 1:PHE65 4.7 44.0 1.0
C24 1:BQ1600 4.7 40.2 1.0
O 1:ALA62 4.7 40.4 1.0
C 1:ALA62 4.9 40.4 1.0
C30 9:BQ1600 5.0 46.0 1.0
N 1:ALA62 5.0 40.4 1.0

Bromine binding site 2 out of 7 in 8j57

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Bromine binding site 2 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Br600

b:39.5
occ:1.00
 BR 4:BQ1600 0.0 39.5 1.0
C35 4:BQ1600 1.9 39.5 1.0
C33 4:BQ1600 2.9 39.5 1.0
C36 4:BQ1600 2.9 39.5 1.0
CE3 a:TRP216 3.2 55.8 1.0
CZ3 a:TRP216 3.3 55.8 1.0
CB a:PHE219 3.7 53.2 1.0
CD2 4:PHE65 3.9 40.6 1.0
CG 4:PHE65 4.1 40.6 1.0
CB 4:PHE65 4.2 40.6 1.0
C22 4:BQ1600 4.2 39.5 1.0
CG a:PHE219 4.2 53.2 1.0
C34 4:BQ1600 4.2 39.5 1.0
CA 4:ALA62 4.2 34.1 1.0
CB 4:ALA62 4.4 34.1 1.0
CD2 a:TRP216 4.4 55.8 1.0
CD2 a:PHE219 4.4 53.2 1.0
CH2 a:TRP216 4.6 55.8 1.0
CA a:TRP216 4.6 55.8 1.0
O a:ILE215 4.6 59.5 1.0
CE2 4:PHE65 4.6 40.6 1.0
C24 4:BQ1600 4.7 39.5 1.0
O a:TRP216 4.9 55.8 1.0
N 4:ALA62 4.9 34.1 1.0
CD1 4:PHE65 5.0 40.6 1.0

Bromine binding site 3 out of 7 in 8j57

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Bromine binding site 3 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
5:Br600

b:41.5
occ:1.00
 BR 5:BQ1600 0.0 41.5 1.0
C35 5:BQ1600 1.9 41.5 1.0
C33 5:BQ1600 2.9 41.5 1.0
C36 5:BQ1600 2.9 41.5 1.0
CB 5:ALA62 3.9 34.8 1.0
CA 5:ALA62 4.0 34.8 1.0
C22 5:BQ1600 4.2 41.5 1.0
C34 5:BQ1600 4.2 41.5 1.0
CD2 5:PHE65 4.2 40.1 1.0
C32 4:BQ1600 4.2 39.5 1.0
CB 5:PHE65 4.5 40.1 1.0
CG 5:PHE65 4.6 40.1 1.0
C24 5:BQ1600 4.7 41.5 1.0
C27 4:BQ1600 4.8 39.5 1.0
C30 4:BQ1600 4.8 39.5 1.0
N 5:ALA62 4.8 34.8 1.0
O 5:ALA62 5.0 34.8 1.0
CE2 5:PHE65 5.0 40.1 1.0

Bromine binding site 4 out of 7 in 8j57

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Bromine binding site 4 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
6:Br600

b:41.3
occ:1.00
 BR 6:BQ1600 0.0 41.3 1.0
C35 6:BQ1600 1.9 41.3 1.0
C33 6:BQ1600 2.9 41.3 1.0
C36 6:BQ1600 2.9 41.3 1.0
CA 6:ALA62 3.8 37.8 1.0
CB 6:ALA62 3.9 37.8 1.0
C22 6:BQ1600 4.2 41.3 1.0
C34 6:BQ1600 4.2 41.3 1.0
CD2 6:PHE65 4.3 40.1 1.0
C32 5:BQ1600 4.5 41.5 1.0
CB 6:PHE65 4.5 40.1 1.0
N 6:ALA62 4.6 37.8 1.0
C24 6:BQ1600 4.7 41.3 1.0
CG 6:PHE65 4.7 40.1 1.0
O 6:ALA62 4.8 37.8 1.0
C 6:ALA62 4.9 37.8 1.0
C27 5:BQ1600 4.9 41.5 1.0
O 6:GLU61 5.0 39.0 1.0

Bromine binding site 5 out of 7 in 8j57

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Bromine binding site 5 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
7:Br600

b:43.8
occ:1.00
 BR 7:BQ1600 0.0 43.8 1.0
C35 7:BQ1600 1.9 43.8 1.0
C33 7:BQ1600 2.9 43.8 1.0
C36 7:BQ1600 2.9 43.8 1.0
CD2 7:PHE65 3.9 44.6 1.0
CB 7:ALA62 4.1 42.9 1.0
CA 7:ALA62 4.2 42.9 1.0
C22 7:BQ1600 4.2 43.8 1.0
C34 7:BQ1600 4.2 43.8 1.0
C32 6:BQ1600 4.2 41.3 1.0
CG 7:PHE65 4.5 44.6 1.0
CB 7:PHE65 4.6 44.6 1.0
CE2 7:PHE65 4.6 44.6 1.0
C27 6:BQ1600 4.7 41.3 1.0
C24 7:BQ1600 4.7 43.8 1.0
C30 6:BQ1600 4.8 41.3 1.0
O 7:ALA62 4.9 42.9 1.0

Bromine binding site 6 out of 7 in 8j57

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Bromine binding site 6 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
8:Br600

b:45.8
occ:1.00
 BR 8:BQ1600 0.0 45.8 1.0
C35 8:BQ1600 1.9 45.8 1.0
C33 8:BQ1600 2.9 45.8 1.0
C36 8:BQ1600 2.9 45.8 1.0
CD2 8:PHE65 3.7 44.9 1.0
CA 8:ALA62 3.9 42.6 1.0
CB 8:ALA62 4.0 42.6 1.0
C22 8:BQ1600 4.2 45.8 1.0
C34 8:BQ1600 4.2 45.8 1.0
CB 8:PHE65 4.4 44.9 1.0
CG 8:PHE65 4.5 44.9 1.0
C32 7:BQ1600 4.5 43.8 1.0
CE2 8:PHE65 4.6 44.9 1.0
O 8:ALA62 4.6 42.6 1.0
C24 8:BQ1600 4.7 45.8 1.0
C 8:ALA62 4.8 42.6 1.0
N 8:ALA62 4.8 42.6 1.0
C27 7:BQ1600 4.9 43.8 1.0

Bromine binding site 7 out of 7 in 8j57

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Bromine binding site 7 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase Fo in Complex with Bedaquiline(Bdq)


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 Fo in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
9:Br600

b:46.0
occ:1.00
 BR 9:BQ1600 0.0 46.0 1.0
C35 9:BQ1600 1.9 46.0 1.0
C33 9:BQ1600 2.9 46.0 1.0
C36 9:BQ1600 2.9 46.0 1.0
CB 9:ALA62 4.0 43.9 1.0
C32 8:BQ1600 4.1 45.8 1.0
CA 9:ALA62 4.1 43.9 1.0
C22 9:BQ1600 4.2 46.0 1.0
C34 9:BQ1600 4.2 46.0 1.0
CD2 9:PHE65 4.2 45.7 1.0
C27 8:BQ1600 4.6 45.8 1.0
CB 9:PHE65 4.7 45.7 1.0
C30 8:BQ1600 4.7 45.8 1.0
C24 9:BQ1600 4.7 46.0 1.0
CG 9:PHE65 4.7 45.7 1.0
O 9:ALA62 4.9 43.9 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 05:18:26 2024

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