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Bromine in PDB 8jr0: Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587

Enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587

All present enzymatic activity of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587:
7.1.2.2;

Other elements in 8jr0:

The structure of Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Fluorine (F) 7 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587 (pdb code 8jr0). 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 Tbaj-587, PDB code: 8jr0:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 8jr0

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Bromine binding site 1 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Br600

b:72.4
occ:1.00
 BR37 1:UTI600 0.0 72.4 1.0
C33 1:UTI600 1.9 72.4 1.0
C34 1:UTI600 2.9 72.4 1.0
C32 1:UTI600 2.9 72.4 1.0
CD2 1:PHE65 3.8 65.2 1.0
C35 1:UTI600 4.2 72.4 1.0
C16 9:UTI600 4.2 72.8 1.0
C31 1:UTI600 4.2 72.4 1.0
CA 1:ALA62 4.2 59.0 1.0
CB 1:ALA62 4.2 59.0 1.0
CB 1:PHE65 4.5 65.2 1.0
CG 1:PHE65 4.5 65.2 1.0
CE2 1:PHE65 4.5 65.2 1.0
O15 9:UTI600 4.5 72.8 1.0
C30 1:UTI600 4.7 72.4 1.0

Bromine binding site 2 out of 7 in 8jr0

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Bromine binding site 2 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
4:Br600

b:66.2
occ:1.00
 BR37 4:UTI600 0.0 66.2 1.0
C33 4:UTI600 1.9 66.2 1.0
C34 4:UTI600 2.9 66.2 1.0
C32 4:UTI600 2.9 66.2 1.0
CA 4:ALA62 4.0 46.2 1.0
CD2 4:PHE65 4.1 56.0 1.0
CG2 a:ILE215 4.1 114.5 1.0
CB 4:ALA62 4.2 46.2 1.0
C31 4:UTI600 4.2 66.2 1.0
C35 4:UTI600 4.2 66.2 1.0
CB a:PHE219 4.3 101.3 1.0
CG a:PHE219 4.4 101.3 1.0
CD1 a:PHE219 4.5 101.3 1.0
CE3 a:TRP216 4.6 111.8 1.0
CB 4:PHE65 4.7 56.0 1.0
CG 4:PHE65 4.7 56.0 1.0
N 4:ALA62 4.7 46.2 1.0
C30 4:UTI600 4.7 66.2 1.0
CE2 4:PHE65 4.8 56.0 1.0

Bromine binding site 3 out of 7 in 8jr0

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Bromine binding site 3 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
5:Br600

b:63.1
occ:1.00
 BR37 5:UTI600 0.0 63.1 1.0
C33 5:UTI600 1.9 63.1 1.0
C34 5:UTI600 2.9 63.1 1.0
C32 5:UTI600 2.9 63.1 1.0
CB 5:ALA62 3.8 41.3 1.0
CA 5:ALA62 3.9 41.3 1.0
C16 4:UTI600 4.0 66.2 1.0
C31 5:UTI600 4.2 63.1 1.0
C35 5:UTI600 4.2 63.1 1.0
CD2 5:PHE65 4.4 48.3 1.0
O15 4:UTI600 4.5 66.2 1.0
N 5:ALA62 4.7 41.3 1.0
C30 5:UTI600 4.7 63.1 1.0
CB 5:PHE65 4.8 48.3 1.0

Bromine binding site 4 out of 7 in 8jr0

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Bromine binding site 4 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
6:Br600

b:68.7
occ:1.00
 BR37 6:UTI600 0.0 68.7 1.0
C33 6:UTI600 1.9 68.7 1.0
C32 6:UTI600 2.9 68.7 1.0
C34 6:UTI600 2.9 68.7 1.0
CB 6:ALA62 3.8 44.6 1.0
CA 6:ALA62 4.1 44.6 1.0
C31 6:UTI600 4.2 68.7 1.0
C35 6:UTI600 4.2 68.7 1.0
CD2 6:PHE65 4.3 50.0 1.0
C16 5:UTI600 4.4 63.1 1.0
O15 5:UTI600 4.4 63.1 1.0
C30 6:UTI600 4.7 68.7 1.0
CE2 6:PHE65 4.8 50.0 1.0
N 6:ALA62 4.9 44.6 1.0

Bromine binding site 5 out of 7 in 8jr0

Go back to Bromine Binding Sites List in 8jr0
Bromine binding site 5 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
7:Br600

b:72.8
occ:1.00
 BR37 7:UTI600 0.0 72.8 1.0
C33 7:UTI600 1.9 72.8 1.0
C32 7:UTI600 2.9 72.8 1.0
C34 7:UTI600 2.9 72.8 1.0
C16 6:UTI600 3.6 68.7 1.0
CB 7:ALA62 4.1 48.1 1.0
CA 7:ALA62 4.1 48.1 1.0
C31 7:UTI600 4.2 72.8 1.0
C35 7:UTI600 4.2 72.8 1.0
CD2 7:PHE65 4.5 54.9 1.0
O15 6:UTI600 4.6 68.7 1.0
C30 7:UTI600 4.7 72.8 1.0
N 7:ALA62 4.9 48.1 1.0
CB 7:PHE65 5.0 54.9 1.0

Bromine binding site 6 out of 7 in 8jr0

Go back to Bromine Binding Sites List in 8jr0
Bromine binding site 6 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
8:Br600

b:66.4
occ:1.00
 BR37 8:UTI600 0.0 66.4 1.0
C33 8:UTI600 1.9 66.4 1.0
C34 8:UTI600 2.9 66.4 1.0
C32 8:UTI600 2.9 66.4 1.0
C16 7:UTI600 3.7 72.8 1.0
CB 8:ALA62 4.1 56.0 1.0
CA 8:ALA62 4.2 56.0 1.0
C31 8:UTI600 4.2 66.4 1.0
C35 8:UTI600 4.2 66.4 1.0
CD2 8:PHE65 4.5 61.2 1.0
O15 7:UTI600 4.6 72.8 1.0
CB 8:PHE65 4.6 61.2 1.0
C30 8:UTI600 4.7 66.4 1.0
CG 8:PHE65 4.8 61.2 1.0
N 8:ALA62 4.9 56.0 1.0

Bromine binding site 7 out of 7 in 8jr0

Go back to Bromine Binding Sites List in 8jr0
Bromine binding site 7 out of 7 in the Cryo-Em Structure of Mycobacterium Tuberculosis Atp Synthase in Complex with Tbaj-587


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 Tbaj-587 within 5.0Å range:
probe atom residue distance (Å) B Occ
9:Br600

b:72.8
occ:1.00
 BR37 9:UTI600 0.0 72.8 1.0
C33 9:UTI600 1.9 72.8 1.0
C32 9:UTI600 2.9 72.8 1.0
C34 9:UTI600 2.9 72.8 1.0
CD2 9:PHE65 4.0 63.5 1.0
C16 8:UTI600 4.1 66.4 1.0
CB 9:ALA62 4.2 58.1 1.0
C31 9:UTI600 4.2 72.8 1.0
C35 9:UTI600 4.2 72.8 1.0
CA 9:ALA62 4.3 58.1 1.0
O15 8:UTI600 4.4 66.4 1.0
CE2 9:PHE65 4.7 63.5 1.0
C30 9:UTI600 4.7 72.8 1.0
CB 9:PHE65 4.8 63.5 1.0
CG 9:PHE65 4.9 63.5 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 05:22:30 2024

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