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Magnesium 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:

Bromine (Br) 7 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 5 in 8j0s

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Magnesium binding site 1 out of 5 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 Magnesium with other atoms in the Mg 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
A:Mg601

b:11.5
occ:1.00
 O1B A:ATP600 2.0 5.3 1.0
OG1 A:THR179 2.0 12.9 1.0
O1G A:ATP600 2.3 5.3 1.0
PB A:ATP600 3.3 5.3 1.0
CB A:THR179 3.3 12.9 1.0
PG A:ATP600 3.3 5.3 1.0
O3G A:ATP600 3.6 5.3 1.0
O3B A:ATP600 3.7 5.3 1.0
CG2 A:THR179 4.0 12.9 1.0
O2B A:ATP600 4.1 5.3 1.0
OD1 A:ASP272 4.1 10.0 1.0
N A:THR179 4.3 12.9 1.0
CA A:THR179 4.4 12.9 1.0
O1A A:ATP600 4.4 5.3 1.0
O3A A:ATP600 4.5 5.3 1.0
OD2 A:ASP272 4.5 10.0 1.0
O2G A:ATP600 4.7 5.3 1.0
CG A:ASP272 4.7 10.0 1.0
PA A:ATP600 4.8 5.3 1.0

Magnesium binding site 2 out of 5 in 8j0s

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Magnesium binding site 2 out of 5 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 Magnesium with other atoms in the Mg 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
B:Mg601

b:20.0
occ:1.00
 O3G B:ATP600 2.0 15.4 1.0
OG1 B:THR179 2.0 17.9 1.0
O2B B:ATP600 2.3 15.4 1.0
CB B:THR179 3.3 17.9 1.0
PG B:ATP600 3.4 15.4 1.0
PB B:ATP600 3.5 15.4 1.0
OD1 B:ASP272 3.5 13.5 1.0
O3B B:ATP600 3.7 15.4 1.0
OE1 B:GLN211 3.8 13.1 1.0
CG2 B:THR179 4.0 17.9 1.0
OD2 B:ASP272 4.1 13.5 1.0
CG B:ASP272 4.2 13.5 1.0
O1G B:ATP600 4.3 15.4 1.0
N B:THR179 4.3 17.9 1.0
O2G B:ATP600 4.3 15.4 1.0
O1B B:ATP600 4.4 15.4 1.0
CA B:THR179 4.4 17.9 1.0
O1A B:ATP600 4.4 15.4 1.0
O3A B:ATP600 4.7 15.4 1.0
CD B:GLN211 4.7 13.1 1.0
PA B:ATP600 4.9 15.4 1.0

Magnesium binding site 3 out of 5 in 8j0s

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Magnesium binding site 3 out of 5 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 Magnesium with other atoms in the Mg 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
C:Mg601

b:11.3
occ:1.00
 O2B C:ATP600 1.9 0.0 1.0
OG1 C:THR179 2.0 12.0 1.0
O1G C:ATP600 2.3 0.0 1.0
CB C:THR179 3.2 12.0 1.0
PB C:ATP600 3.2 0.0 1.0
PG C:ATP600 3.3 0.0 1.0
O2G C:ATP600 3.6 0.0 1.0
O3B C:ATP600 3.7 0.0 1.0
CG2 C:THR179 4.0 12.0 1.0
O1B C:ATP600 4.0 0.0 1.0
OD1 C:ASP272 4.0 12.4 1.0
N C:THR179 4.2 12.0 1.0
CA C:THR179 4.3 12.0 1.0
O1A C:ATP600 4.3 0.0 1.0
OD2 C:ASP272 4.4 12.4 1.0
O3A C:ATP600 4.4 0.0 1.0
CG C:ASP272 4.6 12.4 1.0
O3G C:ATP600 4.7 0.0 1.0
PA C:ATP600 4.7 0.0 1.0
O2A C:ATP600 4.8 0.0 1.0

Magnesium binding site 4 out of 5 in 8j0s

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Magnesium binding site 4 out of 5 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 Magnesium with other atoms in the Mg 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
D:Mg601

b:15.4
occ:1.00
 O1B D:ADP600 1.8 8.0 1.0
OG1 D:THR178 2.0 15.9 1.0
PB D:ADP600 3.1 8.0 1.0
CB D:THR178 3.4 15.9 1.0
OE1 D:GLU203 3.4 16.4 1.0
O2B D:ADP600 3.5 8.0 1.0
NH1 D:ARG204 3.7 14.6 1.0
N D:THR178 3.9 15.9 1.0
CA D:THR178 4.1 15.9 1.0
O3A D:ADP600 4.1 8.0 1.0
CD D:GLU203 4.2 16.4 1.0
O3B D:ADP600 4.2 8.0 1.0
OD1 D:ASP265 4.2 13.3 1.0
OE1 D:GLU207 4.2 17.7 1.0
CG2 D:THR178 4.4 15.9 1.0
OD2 D:ASP265 4.5 13.3 1.0
ND2 D:ASN266 4.5 12.8 1.0
CE D:LYS177 4.5 13.3 1.0
CB D:LYS177 4.5 13.3 1.0
O1A D:ADP600 4.5 8.0 1.0
OE2 D:GLU203 4.6 16.4 1.0
OE2 D:GLU207 4.6 17.7 1.0
CG D:ASP265 4.7 13.3 1.0
C D:LYS177 4.8 13.3 1.0
CD D:GLU207 4.9 17.7 1.0
PA D:ADP600 4.9 8.0 1.0
NZ D:LYS177 4.9 13.3 1.0
CZ D:ARG204 4.9 14.6 1.0

Magnesium binding site 5 out of 5 in 8j0s

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Magnesium binding site 5 out of 5 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 Magnesium with other atoms in the Mg 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
F:Mg601

b:11.7
occ:1.00
 OG1 F:THR178 2.0 10.2 1.0
O1B F:ADP600 2.7 5.3 1.0
O1A F:ADP600 2.8 5.3 1.0
CB F:THR178 3.3 10.2 1.0
OE1 F:GLU203 3.4 11.6 1.0
NH1 F:ARG204 3.6 11.8 1.0
PB F:ADP600 3.8 5.3 1.0
PA F:ADP600 3.9 5.3 1.0
OE2 F:GLU207 4.0 13.4 1.0
O3A F:ADP600 4.1 5.3 1.0
OE1 F:GLU207 4.1 13.4 1.0
O2B F:ADP600 4.1 5.3 1.0
CG2 F:THR178 4.2 10.2 1.0
N F:THR178 4.2 10.2 1.0
CA F:THR178 4.3 10.2 1.0
CD F:GLU203 4.3 11.6 1.0
CD F:GLU207 4.5 13.4 1.0
O2A F:ADP600 4.5 5.3 1.0
OD1 F:ASP265 4.6 10.9 1.0
OD2 F:ASP265 4.7 10.9 1.0
OE2 F:GLU203 4.9 11.6 1.0
CZ F:ARG204 4.9 11.8 1.0
ND2 F:ASN266 4.9 10.0 1.0

Reference:

Y.Zhang, Y.Lai, F.Liu, Z.Rao, H.Gong. Structure of Mycobacterium Tuberculosis Atp Synthase To Be Published.
Page generated: Fri Oct 4 11:27:41 2024

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