Magnesium in PDB 7jg5: Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1

All present enzymatic activity of Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1:
7.1.2.2;

The binding sites of Magnesium atom in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1 (pdb code 7jg5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1, PDB code: 7jg5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1


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 Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:66.8 occ:1.00 O2B A:ATP600 1.9 64.3 1.0 O1G A:ATP600 2.1 64.3 1.0 OG1 A:THR179 2.1 60.9 1.0 O2G A:ATP600 2.2 64.3 1.0 PG A:ATP600 2.5 64.3 1.0 PB A:ATP600 3.1 64.3 1.0 O3B A:ATP600 3.3 64.3 1.0 CB A:THR179 3.4 60.9 1.0 OD2 A:ASP272 3.6 59.2 1.0 OD1 A:ASP272 3.8 59.2 1.0 NE2 A:GLN211 3.9 60.1 1.0 O3G A:ATP600 3.9 64.3 1.0 CG2 A:THR179 4.1 60.9 1.0 O3A A:ATP600 4.1 64.3 1.0 CG A:ASP272 4.1 59.2 1.0 O1B A:ATP600 4.2 64.3 1.0 N A:THR179 4.4 60.9 1.0 CA A:THR179 4.5 60.9 1.0 OE1 A:GLN211 4.5 60.1 1.0 CD A:GLN211 4.6 60.1 1.0 NZ A:LYS178 4.9 62.0 1.0 CE A:LYS178 4.9 62.0 1.0

Magnesium binding site 2 out of 4 in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1


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 Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:63.0 occ:1.00 O1B B:ATP600 1.8 66.0 1.0 OG1 B:THR179 2.1 62.9 1.0 O1G B:ATP600 2.1 66.0 1.0 O3G B:ATP600 2.2 66.0 1.0 PG B:ATP600 2.5 66.0 1.0 PB B:ATP600 2.8 66.0 1.0 O3B B:ATP600 3.1 66.0 1.0 CB B:THR179 3.3 62.9 1.0 O2B B:ATP600 3.5 66.0 1.0 O2G B:ATP600 4.0 66.0 1.0 O1A B:ATP600 4.1 66.0 1.0 OD2 B:ASP272 4.1 60.4 1.0 CG2 B:THR179 4.2 62.9 1.0 O3A B:ATP600 4.2 66.0 1.0 NE2 B:GLN211 4.2 60.4 1.0 OD1 B:ASP272 4.3 60.4 1.0 N B:THR179 4.3 62.9 1.0 CA B:THR179 4.4 62.9 1.0 CG B:ASP272 4.6 60.4 1.0 PA B:ATP600 4.7 66.0 1.0 NZ B:LYS178 4.8 63.5 1.0 CE B:LYS178 4.9 63.5 1.0

Magnesium binding site 3 out of 4 in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1


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 Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:69.3 occ:1.00 O2B C:ATP600 1.8 71.3 1.0 OG1 C:THR179 2.2 64.5 1.0 O1G C:ATP600 2.3 71.3 1.0 O3G C:ATP600 2.4 71.3 1.0 PG C:ATP600 2.7 71.3 1.0 PB C:ATP600 3.1 71.3 1.0 CB C:THR179 3.2 64.5 1.0 O3B C:ATP600 3.4 71.3 1.0 OE1 C:GLN211 3.4 62.5 1.0 OD2 C:ASP272 3.8 61.5 1.0 OD1 C:ASP272 3.9 61.5 1.0 O1A C:ATP600 4.0 71.3 1.0 CG2 C:THR179 4.0 64.5 1.0 O1B C:ATP600 4.1 71.3 1.0 O2G C:ATP600 4.2 71.3 1.0 O3A C:ATP600 4.2 71.3 1.0 CG C:ASP272 4.2 61.5 1.0 N C:THR179 4.3 64.5 1.0 CA C:THR179 4.3 64.5 1.0 PA C:ATP600 4.5 71.3 1.0 CD C:GLN211 4.5 62.5 1.0 O2A C:ATP600 4.8 71.3 1.0 CG2 C:THR215 4.8 62.1 1.0

Magnesium binding site 4 out of 4 in the Cryo-Em Structure of Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1


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 Bedaquiline-Free Mycobacterium Smegmatis Atp Synthase Rotational State 1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:72.2 occ:1.00 OG1 F:THR167 2.1 71.1 1.0 O3B F:ADP600 2.1 73.9 1.0 O2A F:ADP600 2.8 73.9 1.0 N F:THR167 3.2 71.1 1.0 CB F:THR167 3.2 71.1 1.0 CB F:LYS166 3.3 69.0 1.0 PB F:ADP600 3.4 73.9 1.0 CA F:THR167 3.6 71.1 1.0 PA F:ADP600 3.6 73.9 1.0 O2B F:ADP600 3.8 73.9 1.0 O1A F:ADP600 3.8 73.9 1.0 C F:LYS166 3.9 69.0 1.0 O3A F:ADP600 4.0 73.9 1.0 NH2 F:ARG193 4.0 64.0 1.0 CA F:LYS166 4.1 69.0 1.0 CG F:LYS166 4.2 69.0 1.0 OD2 F:ASP254 4.2 65.0 1.0 CG2 F:THR167 4.5 71.1 1.0 N F:LYS166 4.6 69.0 1.0 O1B F:ADP600 4.6 73.9 1.0 O F:LYS166 4.8 69.0 1.0 OD1 F:ASP254 5.0 65.0 1.0

H.Guo, G.M.Courbon, S.A.Bueler, J.Mai, J.Liu, J.L.Rubinstein. Structure of Mycobacterial Atp Synthase with the Tb Drug Bedaquiline Biorxiv 2020.
DOI: 10.1101/2020.08.06.225375