Bromine in PDB 8j0s: Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Bedaquiline(Bdq)

Enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Bedaquiline(Bdq)

All present enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Bedaquiline(Bdq):
7.1.2.2;

Other elements in 8j0s:

The structure of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Bedaquiline(Bdq) also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Bedaquiline(Bdq) (pdb code 8j0s). 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 Bedaquiline(Bdq), PDB code: 8j0s:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 8j0s

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Bromine binding site 1 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Br600

b:21.5
occ:1.00
 BR 1:BQ1600 0.0 21.5 1.0
C35 1:BQ1600 1.9 21.5 1.0
C33 1:BQ1600 2.9 21.5 1.0
C36 1:BQ1600 2.9 21.5 1.0
CD2 1:PHE65 4.2 15.1 1.0
C22 1:BQ1600 4.2 21.5 1.0
CA 1:ALA62 4.2 12.9 1.0
C34 1:BQ1600 4.2 21.5 1.0
C32 9:BQ1600 4.2 31.5 1.0
CB 1:ALA62 4.4 12.9 1.0
CB 1:PHE65 4.6 15.1 1.0
CG 1:PHE65 4.7 15.1 1.0
O 1:ALA62 4.7 12.9 1.0
C27 9:BQ1600 4.7 31.5 1.0
C24 1:BQ1600 4.7 21.5 1.0
C 1:ALA62 4.9 12.9 1.0
CE2 1:PHE65 4.9 15.1 1.0

Bromine binding site 2 out of 7 in 8j0s

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Bromine binding site 2 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Br600

b:20.4
occ:1.00
 BR 4:BQ1600 0.0 20.4 1.0
C35 4:BQ1600 1.9 20.4 1.0
C36 4:BQ1600 2.9 20.4 1.0
C33 4:BQ1600 2.9 20.4 1.0
CE3 a:TRP216 3.4 23.5 1.0
CZ3 a:TRP216 3.4 23.5 1.0
CB a:PHE219 3.8 21.4 1.0
CA 4:ALA62 4.0 11.7 1.0
CD2 4:PHE65 4.0 11.2 1.0
CG a:PHE219 4.1 21.4 1.0
CB 4:PHE65 4.1 11.2 1.0
C34 4:BQ1600 4.2 20.4 1.0
C22 4:BQ1600 4.2 20.4 1.0
CG 4:PHE65 4.2 11.2 1.0
CB 4:ALA62 4.3 11.7 1.0
CD1 a:PHE219 4.5 21.4 1.0
CD2 a:TRP216 4.7 23.5 1.0
C24 4:BQ1600 4.7 20.4 1.0
CD2 a:PHE219 4.7 21.4 1.0
CH2 a:TRP216 4.8 23.5 1.0
O 4:ALA62 4.8 11.7 1.0
O a:ILE215 4.8 27.1 1.0
N 4:ALA62 4.8 11.7 1.0
CE2 4:PHE65 4.8 11.2 1.0
CA a:TRP216 4.8 23.5 1.0
C 4:ALA62 4.9 11.7 1.0
CG2 a:ILE215 4.9 27.1 1.0

Bromine binding site 3 out of 7 in 8j0s

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Bromine binding site 3 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
5:Br600

b:23.2
occ:1.00
 BR 5:BQ1600 0.0 23.2 1.0
C35 5:BQ1600 1.9 23.2 1.0
C33 5:BQ1600 2.9 23.2 1.0
C36 5:BQ1600 2.9 23.2 1.0
CA 5:ALA62 3.9 10.6 1.0
CB 5:ALA62 4.0 10.6 1.0
C34 5:BQ1600 4.2 23.2 1.0
C22 5:BQ1600 4.2 23.2 1.0
C32 4:BQ1600 4.2 20.4 1.0
CD2 5:PHE65 4.3 13.3 1.0
CB 5:PHE65 4.4 13.3 1.0
CG 5:PHE65 4.6 13.3 1.0
C24 5:BQ1600 4.7 23.2 1.0
O 5:ALA62 4.7 10.6 1.0
C27 4:BQ1600 4.7 20.4 1.0
N 5:ALA62 4.8 10.6 1.0
C30 4:BQ1600 4.8 20.4 1.0
C 5:ALA62 4.8 10.6 1.0

Bromine binding site 4 out of 7 in 8j0s

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Bromine binding site 4 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
6:Br600

b:25.2
occ:1.00
 BR 6:BQ1600 0.0 25.2 1.0
C35 6:BQ1600 1.9 25.2 1.0
C36 6:BQ1600 2.9 25.2 1.0
C33 6:BQ1600 2.9 25.2 1.0
CA 6:ALA62 3.9 11.6 1.0
CB 6:ALA62 4.0 11.6 1.0
C34 6:BQ1600 4.2 25.2 1.0
C22 6:BQ1600 4.2 25.2 1.0
CD2 6:PHE65 4.3 14.5 1.0
C32 5:BQ1600 4.5 23.2 1.0
CB 6:PHE65 4.6 14.5 1.0
O 6:ALA62 4.6 11.6 1.0
C24 6:BQ1600 4.7 25.2 1.0
CG 6:PHE65 4.7 14.5 1.0
C 6:ALA62 4.8 11.6 1.0
C27 5:BQ1600 4.9 23.2 1.0
N 6:ALA62 4.9 11.6 1.0

Bromine binding site 5 out of 7 in 8j0s

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Bromine binding site 5 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
7:Br600

b:29.6
occ:1.00
 BR 7:BQ1600 0.0 29.6 1.0
C35 7:BQ1600 1.9 29.6 1.0
C36 7:BQ1600 2.9 29.6 1.0
C33 7:BQ1600 2.9 29.6 1.0
CD2 7:PHE65 4.0 15.6 1.0
CA 7:ALA62 4.1 14.4 1.0
CB 7:ALA62 4.1 14.4 1.0
C32 6:BQ1600 4.1 25.2 1.0
C34 7:BQ1600 4.2 29.6 1.0
C22 7:BQ1600 4.2 29.6 1.0
C27 6:BQ1600 4.5 25.2 1.0
O 7:ALA62 4.7 14.4 1.0
C24 7:BQ1600 4.7 29.6 1.0
CB 7:PHE65 4.7 15.6 1.0
CE2 7:PHE65 4.7 15.6 1.0
CG 7:PHE65 4.7 15.6 1.0
C30 6:BQ1600 4.8 25.2 1.0
C 7:ALA62 4.8 14.4 1.0

Bromine binding site 6 out of 7 in 8j0s

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Bromine binding site 6 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
8:Br600

b:29.5
occ:1.00
 BR 8:BQ1600 0.0 29.5 1.0
C35 8:BQ1600 1.9 29.5 1.0
C33 8:BQ1600 2.9 29.5 1.0
C36 8:BQ1600 2.9 29.5 1.0
CA 8:ALA62 3.9 14.7 1.0
CD2 8:PHE65 4.0 16.1 1.0
CB 8:ALA62 4.0 14.7 1.0
C22 8:BQ1600 4.2 29.5 1.0
C34 8:BQ1600 4.2 29.5 1.0
C32 7:BQ1600 4.2 29.6 1.0
O 8:ALA62 4.5 14.7 1.0
CB 8:PHE65 4.6 16.1 1.0
C 8:ALA62 4.7 14.7 1.0
C24 8:BQ1600 4.7 29.5 1.0
CG 8:PHE65 4.7 16.1 1.0
C27 7:BQ1600 4.7 29.6 1.0
CE2 8:PHE65 4.7 16.1 1.0
C30 7:BQ1600 4.8 29.6 1.0
N 8:ALA62 4.9 14.7 1.0

Bromine binding site 7 out of 7 in 8j0s

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Bromine binding site 7 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase 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 in Complex with Bedaquiline(Bdq) within 5.0Å range:
probe atom residue distance (Å) B Occ
9:Br600

b:31.5
occ:1.00
 BR 9:BQ1600 0.0 31.5 1.0
C35 9:BQ1600 1.9 31.5 1.0
C36 9:BQ1600 2.9 31.5 1.0
C33 9:BQ1600 2.9 31.5 1.0
C32 8:BQ1600 4.0 29.5 1.0
CB 9:ALA62 4.2 16.2 1.0
C34 9:BQ1600 4.2 31.5 1.0
C22 9:BQ1600 4.2 31.5 1.0
CA 9:ALA62 4.2 16.2 1.0
CD2 9:PHE65 4.4 16.5 1.0
C27 8:BQ1600 4.5 29.5 1.0
C30 8:BQ1600 4.6 29.5 1.0
C24 9:BQ1600 4.7 31.5 1.0
O 9:ALA62 4.8 16.2 1.0
CB 9:PHE65 4.9 16.5 1.0
CG 9:PHE65 5.0 16.5 1.0
C 9:ALA62 5.0 16.2 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 05:18:19 2024

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