Magnesium in PDB 7njq: Mycobacterium Smegmatis Atp Synthase State 3A

All present enzymatic activity of Mycobacterium Smegmatis Atp Synthase State 3A:
7.1.2.2;

The binding sites of Magnesium atom in the Mycobacterium Smegmatis Atp Synthase State 3A (pdb code 7njq). 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 3A, PDB code: 7njq:
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 3A


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 3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:42.2 occ:1.00 O2G A:ATP600 2.2 45.2 1.0 OG1 A:THR179 2.2 43.3 1.0 O2B A:ATP600 2.2 45.2 1.0 O A:HOH703 2.2 47.4 1.0 O A:HOH702 2.2 43.2 1.0 O A:HOH701 2.2 45.5 1.0 HB A:THR179 3.0 43.3 1.0 CB A:THR179 3.1 43.3 1.0 PB A:ATP600 3.4 45.2 1.0 H A:THR179 3.4 43.3 1.0 O3B A:ATP600 3.4 45.2 1.0 PG A:ATP600 3.4 45.2 1.0 OD2 A:ASP272 3.9 43.2 1.0 HG21 A:THR179 4.0 43.3 1.0 N A:THR179 4.0 43.3 1.0 OD1 A:ASP272 4.1 43.2 1.0 CA A:THR179 4.2 43.3 1.0 CG2 A:THR179 4.2 43.3 1.0 O3G A:ATP600 4.2 45.2 1.0 O2A A:ATP600 4.2 45.2 1.0 O3A A:ATP600 4.3 45.2 1.0 HB2 A:LYS178 4.3 43.3 1.0 O1B A:ATP600 4.4 45.2 1.0 CG A:ASP272 4.4 43.2 1.0 O1G A:ATP600 4.5 45.2 1.0 HA A:THR179 4.5 43.3 1.0 HE2 A:LYS178 4.6 43.3 1.0 PA A:ATP600 4.7 45.2 1.0 HG23 A:THR179 4.8 43.3 1.0 HG22 A:THR179 4.8 43.3 1.0 O1A A:ATP600 4.9 45.2 1.0 HD13 A:ILE329 4.9 42.1 1.0 HZ3 A:LYS178 5.0 43.3 1.0

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


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 3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:46.8 occ:1.00 O2B B:ATP600 2.2 50.2 1.0 O B:HOH702 2.2 49.5 1.0 O B:HOH701 2.2 47.6 1.0 OG1 B:THR179 2.2 46.7 1.0 O2G B:ATP600 2.2 50.2 1.0 O B:HOH703 2.2 47.3 1.0 HB B:THR179 3.0 46.7 1.0 CB B:THR179 3.1 46.7 1.0 PB B:ATP600 3.4 50.2 1.0 H B:THR179 3.4 46.7 1.0 PG B:ATP600 3.4 50.2 1.0 O3B B:ATP600 3.4 50.2 1.0 OD2 B:ASP272 3.6 43.6 1.0 OD1 B:ASP272 3.9 43.6 1.0 HG21 B:THR179 3.9 46.7 1.0 OE1 B:GLN211 4.0 45.0 1.0 N B:THR179 4.1 46.7 1.0 CG2 B:THR179 4.2 46.7 1.0 CA B:THR179 4.2 46.7 1.0 CG B:ASP272 4.2 43.6 1.0 O1A B:ATP600 4.2 50.2 1.0 O3G B:ATP600 4.2 50.2 1.0 O3A B:ATP600 4.3 50.2 1.0 O1B B:ATP600 4.4 50.2 1.0 HB2 B:LYS178 4.5 46.4 1.0 O1G B:ATP600 4.5 50.2 1.0 HA B:THR179 4.5 46.7 1.0 PA B:ATP600 4.6 50.2 1.0 HE2 B:LYS178 4.7 46.4 1.0 HG23 B:THR179 4.7 46.7 1.0 HG22 B:THR179 4.8 46.7 1.0 O2A B:ATP600 4.8 50.2 1.0 HD13 B:ILE329 5.0 43.4 1.0

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


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 3A within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:40.5 occ:1.00 OG1 C:THR179 2.2 43.7 1.0 O2G C:ATP600 2.2 45.0 1.0 O C:HOH701 2.2 44.2 1.0 O C:HOH703 2.2 42.8 1.0 O C:HOH702 2.2 44.4 1.0 O2B C:ATP600 2.2 45.0 1.0 HB C:THR179 3.0 43.7 1.0 CB C:THR179 3.1 43.7 1.0 PB C:ATP600 3.3 45.0 1.0 H C:THR179 3.4 43.7 1.0 O3B C:ATP600 3.4 45.0 1.0 PG C:ATP600 3.4 45.0 1.0 OD2 C:ASP272 3.9 43.2 1.0 HG21 C:THR179 4.0 43.7 1.0 N C:THR179 4.0 43.7 1.0 OD1 C:ASP272 4.0 43.2 1.0 CA C:THR179 4.1 43.7 1.0 CG2 C:THR179 4.2 43.7 1.0 O3G C:ATP600 4.2 45.0 1.0 O1A C:ATP600 4.2 45.0 1.0 HB2 C:LYS178 4.2 43.4 1.0 O3A C:ATP600 4.3 45.0 1.0 HE2 C:LYS178 4.4 43.4 1.0 O1B C:ATP600 4.4 45.0 1.0 CG C:ASP272 4.4 43.2 1.0 O1G C:ATP600 4.4 45.0 1.0 HA C:THR179 4.5 43.7 1.0 PA C:ATP600 4.6 45.0 1.0 HG23 C:THR179 4.8 43.7 1.0 O2A C:ATP600 4.8 45.0 1.0 HG22 C:THR179 4.8 43.7 1.0 HD13 C:ILE329 4.9 42.6 1.0 HG21 C:ILE329 5.0 42.6 1.0

Magnesium binding site 4 out of 5 in the Mycobacterium Smegmatis Atp Synthase State 3A


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 3A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:43.1 occ:1.00 OG1 D:THR167 2.2 43.9 1.0 O2B D:ADP600 2.2 44.0 1.0 O D:HOH701 2.2 45.5 1.0 O D:HOH703 2.2 44.6 1.0 O D:HOH702 2.2 46.6 1.0 O D:HOH704 2.2 45.8 1.0 HB D:THR167 3.0 43.9 1.0 HH12 D:ARG193 3.1 44.4 1.0 PB D:ADP600 3.2 44.0 1.0 CB D:THR167 3.2 43.9 1.0 O3B D:ADP600 3.3 44.0 1.0 H D:THR167 3.3 43.9 1.0 O3A D:ADP600 3.6 44.0 1.0 NH1 D:ARG193 3.8 44.4 1.0 HH11 C:ARG376 3.9 43.7 1.0 HH11 D:ARG193 3.9 44.4 1.0 N D:THR167 3.9 43.9 1.0 OE1 D:GLU192 3.9 45.9 1.0 HH12 C:ARG376 3.9 43.7 1.0 OE2 D:GLU196 3.9 45.0 1.0 HB2 D:LYS166 4.0 43.1 1.0 CA D:THR167 4.1 43.9 1.0 OE1 D:GLU196 4.1 45.0 1.0 HG21 D:THR167 4.1 43.9 1.0 O1A D:ADP600 4.2 44.0 1.0 NH1 C:ARG376 4.2 43.7 1.0 PA D:ADP600 4.2 44.0 1.0 CG2 D:THR167 4.3 43.9 1.0 O2A D:ADP600 4.3 44.0 1.0 OD2 D:ASP254 4.3 44.7 1.0 HA D:THR167 4.4 43.9 1.0 HE2 D:LYS166 4.4 43.1 1.0 CD D:GLU196 4.4 45.0 1.0 CD D:GLU192 4.5 45.9 1.0 O1B D:ADP600 4.5 44.0 1.0 OD1 D:ASP254 4.6 44.7 1.0 HH22 D:ARG193 4.7 44.4 1.0 HZ3 D:LYS166 4.7 43.1 1.0 HZ1 D:LYS166 4.8 43.1 1.0 HD22 D:ASN255 4.8 43.2 1.0 HG23 D:THR167 4.8 43.9 1.0 HG3 D:GLU192 4.9 45.9 1.0 CB D:LYS166 4.9 43.1 1.0 HG22 D:THR167 4.9 43.9 1.0 OE2 D:GLU192 4.9 45.9 1.0 CZ D:ARG193 4.9 44.4 1.0 CG D:ASP254 4.9 44.7 1.0 C D:LYS166 5.0 43.1 1.0

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


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 3A within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:37.8 occ:1.00 OG1 F:THR167 2.2 42.4 1.0 O2G F:ATP600 2.2 44.2 1.0 O F:HOH703 2.2 43.0 1.0 O2B F:ATP600 2.2 44.2 1.0 O F:HOH702 2.2 42.9 1.0 O F:HOH701 2.2 43.1 1.0 HB F:THR167 3.1 42.4 1.0 HH12 F:ARG193 3.2 42.7 1.0 CB F:THR167 3.2 42.4 1.0 PB F:ATP600 3.4 44.2 1.0 O3B F:ATP600 3.4 44.2 1.0 PG F:ATP600 3.4 44.2 1.0 H F:THR167 3.4 42.4 1.0 OE1 F:GLU192 3.6 43.3 1.0 OE2 F:GLU196 3.8 43.9 1.0 NH1 F:ARG193 3.8 42.7 1.0 HH11 F:ARG193 3.8 42.7 1.0 OD2 F:ASP254 4.0 42.7 1.0 N F:THR167 4.0 42.4 1.0 O2A F:ATP600 4.0 44.2 1.0 HB2 F:LYS166 4.1 41.9 1.0 OE1 F:GLU196 4.1 43.9 1.0 HG21 F:THR167 4.1 42.4 1.0 CA F:THR167 4.1 42.4 1.0 HH12 B:ARG376 4.1 46.0 1.0 O3A F:ATP600 4.3 44.2 1.0 CG2 F:THR167 4.3 42.4 1.0 O3G F:ATP600 4.3 44.2 1.0 CD F:GLU196 4.3 43.9 1.0 HE2 F:LYS166 4.4 41.9 1.0 HA F:THR167 4.4 42.4 1.0 O1G F:ATP600 4.4 44.2 1.0 O1B F:ATP600 4.5 44.2 1.0 CD F:GLU192 4.6 43.3 1.0 PA F:ATP600 4.6 44.2 1.0 OD1 F:ASP254 4.6 42.7 1.0 HZ3 F:LYS166 4.6 41.9 1.0 HZ1 F:LYS166 4.7 41.9 1.0 CG F:ASP254 4.7 42.7 1.0 HH11 B:ARG376 4.8 46.0 1.0 NH1 B:ARG376 4.8 46.0 1.0 HG23 F:THR167 4.8 42.4 1.0 O1A F:ATP600 4.9 44.2 1.0 HG22 F:THR167 4.9 42.4 1.0 HH22 F:ARG193 5.0 42.7 1.0 CZ F:ARG193 5.0 42.7 1.0 CB F:LYS166 5.0 41.9 1.0 HG3 F:GLU192 5.0 43.3 1.0 NZ F:LYS166 5.0 41.9 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.