Magnesium in PDB 7njp: Mycobacterium Smegmatis Atp Synthase State 2

All present enzymatic activity of Mycobacterium Smegmatis Atp Synthase State 2:
7.1.2.2;

The binding sites of Magnesium atom in the Mycobacterium Smegmatis Atp Synthase State 2 (pdb code 7njp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Mycobacterium Smegmatis Atp Synthase State 2, PDB code: 7njp:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mycobacterium Smegmatis Atp Synthase State 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:48.1 occ:1.00 O A:HOH701 2.2 48.8 1.0 O A:HOH703 2.2 49.1 1.0 O2G A:ATP600 2.2 49.1 1.0 O A:HOH702 2.2 50.8 1.0 OG1 A:THR179 2.2 46.6 1.0 O2B A:ATP600 2.2 49.1 1.0 O3B A:ATP600 3.0 49.1 1.0 PG A:ATP600 3.0 49.1 1.0 PB A:ATP600 3.2 49.1 1.0 H A:THR179 3.3 46.6 1.0 HB A:THR179 3.3 46.6 1.0 CB A:THR179 3.3 46.6 1.0 O3G A:ATP600 3.4 49.1 1.0 OD2 A:ASP272 4.0 46.1 1.0 N A:THR179 4.0 46.6 1.0 OD1 A:ASP272 4.1 46.1 1.0 O3A A:ATP600 4.1 49.1 1.0 HG21 A:THR179 4.2 46.6 1.0 CA A:THR179 4.2 46.6 1.0 HB2 A:LYS178 4.2 46.9 1.0 O2A A:ATP600 4.3 49.1 1.0 O1B A:ATP600 4.3 49.1 1.0 CG2 A:THR179 4.3 46.6 1.0 O1G A:ATP600 4.4 49.1 1.0 CG A:ASP272 4.5 46.1 1.0 HE2 A:LYS178 4.5 46.9 1.0 HA A:THR179 4.6 46.6 1.0 HZ3 A:LYS178 4.6 46.9 1.0 PA A:ATP600 4.6 49.1 1.0 H A:LYS178 4.8 46.9 1.0 HG23 A:THR179 4.8 46.6 1.0 O1A A:ATP600 4.8 49.1 1.0 HZ1 A:LYS178 4.8 46.9 1.0 HD13 A:ILE329 4.9 45.5 1.0 HG21 A:ILE329 4.9 45.5 1.0

Magnesium binding site 2 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mycobacterium Smegmatis Atp Synthase State 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:49.6 occ:1.00 OG1 B:THR179 2.2 49.4 1.0 O2B B:ATP600 2.2 52.4 1.0 O B:HOH703 2.2 49.3 1.0 O B:HOH702 2.2 50.3 1.0 O2G B:ATP600 2.2 52.4 1.0 O B:HOH701 2.2 53.1 1.0 HB B:THR179 2.9 49.4 1.0 CB B:THR179 3.1 49.4 1.0 PB B:ATP600 3.4 52.4 1.0 PG B:ATP600 3.4 52.4 1.0 O3B B:ATP600 3.4 52.4 1.0 H B:THR179 3.4 49.4 1.0 HG21 B:THR179 3.8 49.4 1.0 OD2 B:ASP272 3.9 47.6 1.0 OD1 B:ASP272 3.9 47.6 1.0 OE1 B:GLN211 4.0 48.3 1.0 CG2 B:THR179 4.1 49.4 1.0 N B:THR179 4.1 49.4 1.0 CA B:THR179 4.1 49.4 1.0 O3G B:ATP600 4.3 52.4 1.0 O1A B:ATP600 4.3 52.4 1.0 CG B:ASP272 4.3 47.6 1.0 O3A B:ATP600 4.3 52.4 1.0 O1B B:ATP600 4.4 52.4 1.0 O1G B:ATP600 4.4 52.4 1.0 HB2 B:LYS178 4.4 49.5 1.0 HA B:THR179 4.5 49.4 1.0 HE2 B:LYS178 4.6 49.5 1.0 HG22 B:THR179 4.7 49.4 1.0 HG23 B:THR179 4.7 49.4 1.0 PA B:ATP600 4.7 52.4 1.0 O2A B:ATP600 4.9 52.4 1.0 HH B:TYR206 4.9 46.7 1.0

Magnesium binding site 3 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mycobacterium Smegmatis Atp Synthase State 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:47.4 occ:1.00 O2B C:ATP600 2.2 47.1 1.0 O2G C:ATP600 2.2 47.1 1.0 O C:HOH703 2.2 47.0 1.0 OG1 C:THR179 2.2 45.8 1.0 O C:HOH701 2.2 46.5 1.0 O C:HOH702 2.2 45.5 1.0 HB C:THR179 2.8 45.8 1.0 CB C:THR179 3.0 45.8 1.0 PB C:ATP600 3.4 47.1 1.0 H C:THR179 3.4 45.8 1.0 PG C:ATP600 3.4 47.1 1.0 O3B C:ATP600 3.4 47.1 1.0 OD2 C:ASP272 3.7 44.2 1.0 HG21 C:THR179 3.8 45.8 1.0 O1A C:ATP600 4.0 47.1 1.0 CG2 C:THR179 4.0 45.8 1.0 N C:THR179 4.1 45.8 1.0 CA C:THR179 4.1 45.8 1.0 OD1 C:ASP272 4.1 44.2 1.0 O3A C:ATP600 4.3 47.1 1.0 CG C:ASP272 4.4 44.2 1.0 O1G C:ATP600 4.4 47.1 1.0 O3G C:ATP600 4.4 47.1 1.0 HE2 C:LYS178 4.5 45.7 1.0 O1B C:ATP600 4.5 47.1 1.0 HB2 C:LYS178 4.5 45.7 1.0 HA C:THR179 4.5 45.8 1.0 PA C:ATP600 4.5 47.1 1.0 HG22 C:THR179 4.6 45.8 1.0 HG23 C:THR179 4.7 45.8 1.0 O2A C:ATP600 4.9 47.1 1.0 HG21 C:ILE329 4.9 44.2 1.0

Magnesium binding site 4 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mycobacterium Smegmatis Atp Synthase State 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:45.4 occ:1.00 OG1 D:THR167 2.2 48.1 1.0 O2B D:ADP600 2.2 48.3 1.0 O D:HOH702 2.2 50.1 1.0 O D:HOH701 2.2 50.2 1.0 O D:HOH703 2.2 50.0 1.0 O D:HOH704 2.2 49.6 1.0 HB D:THR167 3.2 48.1 1.0 CB D:THR167 3.2 48.1 1.0 HH12 D:ARG193 3.5 47.7 1.0 PB D:ADP600 3.5 48.3 1.0 OE2 D:GLU196 3.6 48.8 1.0 OE1 D:GLU192 3.6 49.9 1.0 H D:THR167 3.7 48.1 1.0 OE1 D:GLU196 3.8 48.8 1.0 NH1 D:ARG193 3.8 47.7 1.0 HH11 D:ARG193 3.8 47.7 1.0 HH11 C:ARG376 3.9 47.0 1.0 O3A D:ADP600 3.9 48.3 1.0 O3B D:ADP600 4.0 48.3 1.0 HH12 C:ARG376 4.0 47.0 1.0 HG21 D:THR167 4.0 48.1 1.0 OD2 D:ASP254 4.1 47.7 1.0 CD D:GLU196 4.1 48.8 1.0 N D:THR167 4.2 48.1 1.0 O2A D:ADP600 4.2 48.3 1.0 CD D:GLU192 4.2 49.9 1.0 CA D:THR167 4.2 48.1 1.0 CG2 D:THR167 4.3 48.1 1.0 NH1 C:ARG376 4.3 47.0 1.0 HB2 D:LYS166 4.3 46.4 1.0 OD1 D:ASP254 4.4 47.7 1.0 PA D:ADP600 4.4 48.3 1.0 HA D:THR167 4.5 48.1 1.0 HE2 D:LYS166 4.5 46.4 1.0 O1A D:ADP600 4.6 48.3 1.0 OE2 D:GLU192 4.7 49.9 1.0 HG3 D:GLU192 4.7 49.9 1.0 CG D:ASP254 4.7 47.7 1.0 O1B D:ADP600 4.7 48.3 1.0 CZ D:ARG193 4.8 47.7 1.0 HG23 D:THR167 4.8 48.1 1.0 HG22 D:THR167 4.9 48.1 1.0 HH22 D:ARG193 4.9 47.7 1.0

Magnesium binding site 5 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Mycobacterium Smegmatis Atp Synthase State 2 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:43.9 occ:1.00 OG1 F:THR167 2.2 45.4 1.0 O2G F:ATP600 2.2 47.5 1.0 O F:HOH702 2.2 47.8 1.0 O F:HOH701 2.2 46.6 1.0 O F:HOH703 2.2 44.5 1.0 O2B F:ATP600 2.2 47.5 1.0 HB F:THR167 2.9 45.4 1.0 HH12 F:ARG193 3.1 46.1 1.0 CB F:THR167 3.1 45.4 1.0 OE1 F:GLU192 3.4 47.0 1.0 PB F:ATP600 3.4 47.5 1.0 PG F:ATP600 3.4 47.5 1.0 O3B F:ATP600 3.4 47.5 1.0 H F:THR167 3.4 45.4 1.0 NH1 F:ARG193 3.7 46.1 1.0 HH11 F:ARG193 3.7 46.1 1.0 OE2 F:GLU196 3.8 47.3 1.0 HH12 B:ARG376 3.8 48.3 1.0 O2A F:ATP600 3.9 47.5 1.0 OE1 F:GLU196 3.9 47.3 1.0 N F:THR167 4.0 45.4 1.0 HG21 F:THR167 4.0 45.4 1.0 HB2 F:LYS166 4.0 44.5 1.0 CA F:THR167 4.1 45.4 1.0 CG2 F:THR167 4.2 45.4 1.0 O3A F:ATP600 4.2 47.5 1.0 CD F:GLU196 4.2 47.3 1.0 O1G F:ATP600 4.3 47.5 1.0 HE2 F:LYS166 4.3 44.5 1.0 HA F:THR167 4.4 45.4 1.0 O3G F:ATP600 4.4 47.5 1.0 OD2 F:ASP254 4.4 45.9 1.0 PA F:ATP600 4.5 47.5 1.0 NH1 B:ARG376 4.5 48.3 1.0 O1B F:ATP600 4.5 47.5 1.0 HH11 B:ARG376 4.5 48.3 1.0 CD F:GLU192 4.6 47.0 1.0 O1A F:ATP600 4.7 47.5 1.0 OD1 F:ASP254 4.7 45.9 1.0 HG23 F:THR167 4.8 45.4 1.0 HG22 F:THR167 4.8 45.4 1.0 HZ3 F:LYS166 4.8 44.5 1.0 HZ1 F:LYS166 4.8 44.5 1.0 HH22 F:ARG193 5.0 46.1 1.0 CB F:LYS166 5.0 44.5 1.0 CZ F:ARG193 5.0 46.1 1.0

J.Petri, M.G.Montgomery, T.J.Spikes, G.M.Cook, J.E.Walker. Structure of the Atp Synthase From Mycobacterium Smegmatis To Be Published.