Magnesium in PDB 7nk7: Mycobacterium Smegmatis Atp Synthase F1 State 1

All present enzymatic activity of Mycobacterium Smegmatis Atp Synthase F1 State 1:
7.1.2.2;

The binding sites of Magnesium atom in the Mycobacterium Smegmatis Atp Synthase F1 State 1 (pdb code 7nk7). 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 F1 State 1, PDB code: 7nk7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Mycobacterium Smegmatis Atp Synthase F1 State 1


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 F1 State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:28.0 occ:1.00 O2G A:ATP600 2.2 33.3 1.0 OG1 A:THR179 2.2 29.7 1.0 O2B A:ATP600 2.2 33.3 1.0 O A:HOH721 2.2 28.1 1.0 O A:HOH790 2.2 29.7 1.0 O A:HOH723 2.2 28.8 1.0 HB A:THR179 3.0 29.7 1.0 CB A:THR179 3.1 29.7 1.0 H A:THR179 3.3 29.7 1.0 PG A:ATP600 3.3 33.3 1.0 PB A:ATP600 3.3 33.3 1.0 O3B A:ATP600 3.4 33.3 1.0 OD2 A:ASP272 3.8 28.2 1.0 N A:THR179 4.0 29.7 1.0 O3G A:ATP600 4.0 33.3 1.0 HG21 A:THR179 4.0 29.7 1.0 OD1 A:ASP272 4.0 28.2 1.0 O A:HOH772 4.1 31.0 1.0 CA A:THR179 4.1 29.7 1.0 O A:HOH760 4.1 30.1 1.0 CG2 A:THR179 4.2 29.7 1.0 O1A A:ATP600 4.2 33.3 1.0 O3A A:ATP600 4.2 33.3 1.0 HB2 A:LYS178 4.3 29.3 1.0 CG A:ASP272 4.4 28.2 1.0 O1B A:ATP600 4.4 33.3 1.0 O A:HOH796 4.4 28.9 1.0 HA A:THR179 4.4 29.7 1.0 O A:HOH795 4.5 32.4 1.0 O1G A:ATP600 4.5 33.3 1.0 HE2 A:LYS178 4.5 29.3 1.0 PA A:ATP600 4.6 33.3 1.0 O2A A:ATP600 4.7 33.3 1.0 O A:HOH737 4.7 30.2 1.0 HG23 A:THR179 4.8 29.7 1.0 HG22 A:THR179 4.8 29.7 1.0 HZ3 A:LYS178 4.8 29.3 1.0 HZ1 A:LYS178 4.9 29.3 1.0

Magnesium binding site 2 out of 5 in the Mycobacterium Smegmatis Atp Synthase F1 State 1


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 F1 State 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:31.4 occ:1.00 OG1 B:THR179 2.2 32.5 1.0 O2G B:ATP600 2.2 36.0 1.0 O2B B:ATP600 2.2 36.0 1.0 O B:HOH702 2.2 31.5 1.0 O B:HOH758 2.2 30.5 1.0 O B:HOH722 2.2 31.7 1.0 HB B:THR179 3.1 32.5 1.0 CB B:THR179 3.2 32.5 1.0 O3B B:ATP600 3.3 36.0 1.0 PB B:ATP600 3.3 36.0 1.0 PG B:ATP600 3.3 36.0 1.0 H B:THR179 3.3 32.5 1.0 OD2 B:ASP272 3.9 29.2 1.0 O B:HOH712 3.9 32.8 1.0 N B:THR179 4.0 32.5 1.0 OD1 B:ASP272 4.0 29.2 1.0 HG21 B:THR179 4.0 32.5 1.0 O3G B:ATP600 4.1 36.0 1.0 OE1 B:GLN211 4.2 29.9 1.0 CA B:THR179 4.2 32.5 1.0 O B:HOH733 4.2 37.3 1.0 CG2 B:THR179 4.2 32.5 1.0 O3A B:ATP600 4.3 36.0 1.0 O1A B:ATP600 4.3 36.0 1.0 O1B B:ATP600 4.3 36.0 1.0 HB2 B:LYS178 4.4 33.0 1.0 CG B:ASP272 4.4 29.2 1.0 O1G B:ATP600 4.5 36.0 1.0 HA B:THR179 4.5 32.5 1.0 HE2 B:LYS178 4.6 33.0 1.0 PA B:ATP600 4.7 36.0 1.0 HG23 B:THR179 4.8 32.5 1.0 HG22 B:THR179 4.9 32.5 1.0 HZ3 B:LYS178 4.9 33.0 1.0 HZ1 B:LYS178 4.9 33.0 1.0 O2A B:ATP600 4.9 36.0 1.0 CD B:GLN211 5.0 29.9 1.0

Magnesium binding site 3 out of 5 in the Mycobacterium Smegmatis Atp Synthase F1 State 1


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 F1 State 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:29.2 occ:1.00 O2B C:ATP600 2.2 29.7 1.0 O2G C:ATP600 2.2 29.7 1.0 O C:HOH777 2.2 29.3 1.0 O C:HOH747 2.2 26.4 1.0 O C:HOH727 2.2 26.7 1.0 OG1 C:THR179 2.2 30.2 1.0 HB C:THR179 3.0 30.2 1.0 CB C:THR179 3.1 30.2 1.0 PB C:ATP600 3.3 29.7 1.0 O3B C:ATP600 3.3 29.7 1.0 PG C:ATP600 3.3 29.7 1.0 H C:THR179 3.3 30.2 1.0 OD2 C:ASP272 3.9 29.1 1.0 N C:THR179 4.0 30.2 1.0 HG21 C:THR179 4.0 30.2 1.0 OD1 C:ASP272 4.0 29.1 1.0 O3G C:ATP600 4.1 29.7 1.0 CA C:THR179 4.1 30.2 1.0 O C:HOH729 4.1 29.4 1.0 CG2 C:THR179 4.2 30.2 1.0 O1B C:ATP600 4.3 29.7 1.0 O3A C:ATP600 4.3 29.7 1.0 HB2 C:LYS178 4.3 30.9 1.0 O1A C:ATP600 4.3 29.7 1.0 CG C:ASP272 4.4 29.1 1.0 O1G C:ATP600 4.5 29.7 1.0 HA C:THR179 4.5 30.2 1.0 HE2 C:LYS178 4.5 30.9 1.0 PA C:ATP600 4.7 29.7 1.0 HG23 C:THR179 4.8 30.2 1.0 HG22 C:THR179 4.8 30.2 1.0 O2A C:ATP600 4.9 29.7 1.0 HD13 C:ILE329 4.9 29.1 1.0

Magnesium binding site 4 out of 5 in the Mycobacterium Smegmatis Atp Synthase F1 State 1


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 F1 State 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:33.7 occ:1.00 OG1 D:THR167 2.2 32.7 1.0 O D:HOH756 2.2 30.5 1.0 O D:HOH703 2.2 31.9 1.0 O D:HOH710 2.2 32.8 1.0 O2B D:ADP600 2.2 34.5 1.0 O D:HOH706 2.2 32.1 1.0 HB D:THR167 3.0 32.7 1.0 CB D:THR167 3.1 32.7 1.0 PB D:ADP600 3.3 34.5 1.0 HH12 D:ARG193 3.3 31.2 1.0 O3B D:ADP600 3.4 34.5 1.0 H D:THR167 3.5 32.7 1.0 HH11 D:ARG193 3.7 31.2 1.0 NH1 D:ARG193 3.8 31.2 1.0 OE2 D:GLU196 4.0 32.2 1.0 HG21 D:THR167 4.0 32.7 1.0 HH11 C:ARG376 4.0 32.2 1.0 HH12 C:ARG376 4.0 32.2 1.0 N D:THR167 4.0 32.7 1.0 O2A D:ADP600 4.0 34.5 1.0 OE1 D:GLU196 4.1 32.2 1.0 OD2 D:ASP254 4.1 30.5 1.0 CA D:THR167 4.1 32.7 1.0 HB2 D:LYS166 4.1 31.3 1.0 CG2 D:THR167 4.2 32.7 1.0 O3A D:ADP600 4.2 34.5 1.0 O D:HOH772 4.2 30.9 1.0 OE1 D:GLU192 4.3 31.1 1.0 NH1 C:ARG376 4.3 32.2 1.0 HE2 D:LYS166 4.3 31.3 1.0 HA D:THR167 4.4 32.7 1.0 CD D:GLU196 4.4 32.2 1.0 PA D:ADP600 4.4 34.5 1.0 OD1 D:ASP254 4.4 30.5 1.0 O1A D:ADP600 4.4 34.5 1.0 O1B D:ADP600 4.5 34.5 1.0 HG3 D:GLU192 4.6 31.1 1.0 CG D:ASP254 4.7 30.5 1.0 O D:HOH776 4.7 30.3 1.0 HG23 D:THR167 4.8 32.7 1.0 HG22 D:THR167 4.8 32.7 1.0 HZ1 D:LYS166 4.9 31.3 1.0 HZ3 D:LYS166 4.9 31.3 1.0 CD D:GLU192 4.9 31.1 1.0 HD22 D:ASN255 4.9 29.9 1.0

Magnesium binding site 5 out of 5 in the Mycobacterium Smegmatis Atp Synthase F1 State 1


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 F1 State 1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:30.2 occ:1.00 OG1 F:THR167 2.2 30.8 1.0 O2G F:ATP600 2.2 34.5 1.0 O2B F:ATP600 2.2 34.5 1.0 O F:HOH702 2.2 30.7 1.0 O F:HOH704 2.2 30.7 1.0 O F:HOH752 2.2 28.2 1.0 HB F:THR167 3.0 30.8 1.0 CB F:THR167 3.1 30.8 1.0 HH12 F:ARG193 3.1 30.7 1.0 PB F:ATP600 3.4 34.5 1.0 H F:THR167 3.4 30.8 1.0 PG F:ATP600 3.4 34.5 1.0 O3B F:ATP600 3.4 34.5 1.0 OE2 F:GLU196 3.7 31.6 1.0 NH1 F:ARG193 3.8 30.7 1.0 HH11 F:ARG193 3.8 30.7 1.0 HH12 B:ARG376 3.9 34.1 1.0 OE1 F:GLU192 3.9 29.5 1.0 N F:THR167 4.0 30.8 1.0 O F:HOH753 4.0 30.3 1.0 OD2 F:ASP254 4.0 29.0 1.0 HG21 F:THR167 4.0 30.8 1.0 HB2 F:LYS166 4.0 29.9 1.0 O2A F:ATP600 4.1 34.5 1.0 OE1 F:GLU196 4.1 31.6 1.0 CA F:THR167 4.1 30.8 1.0 HE2 F:LYS166 4.1 29.9 1.0 CG2 F:THR167 4.2 30.8 1.0 O3A F:ATP600 4.2 34.5 1.0 CD F:GLU196 4.3 31.6 1.0 O3G F:ATP600 4.3 34.5 1.0 O1G F:ATP600 4.3 34.5 1.0 HA F:THR167 4.4 30.8 1.0 O1B F:ATP600 4.5 34.5 1.0 OD1 F:ASP254 4.5 29.0 1.0 HZ1 F:LYS166 4.6 29.9 1.0 PA F:ATP600 4.6 34.5 1.0 NH1 B:ARG376 4.6 34.1 1.0 HZ3 F:LYS166 4.6 29.9 1.0 HH11 B:ARG376 4.7 34.1 1.0 CD F:GLU192 4.7 29.5 1.0 HG3 F:GLU192 4.7 29.5 1.0 CG F:ASP254 4.7 29.0 1.0 HG23 F:THR167 4.8 30.8 1.0 O1A F:ATP600 4.8 34.5 1.0 HG22 F:THR167 4.8 30.8 1.0 NZ F:LYS166 4.9 29.9 1.0 CE F:LYS166 4.9 29.9 1.0 CB F:LYS166 5.0 29.9 1.0 HH22 F:ARG193 5.0 30.7 1.0 CZ F:ARG193 5.0 30.7 1.0

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