Magnesium in PDB 6foc: F1-Atpase From Mycobacterium Smegmatis

All present enzymatic activity of F1-Atpase From Mycobacterium Smegmatis:
3.6.3.14;

The structure of F1-Atpase From Mycobacterium Smegmatis, PDB code: 6foc was solved by T.Zhang, M.G.Montgomery, A.G.W.Leslie, G.M.Cook, J.E.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.59 / 4.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.189, 105.189, 628.624, 90.00, 90.00, 120.00
R / Rfree (%)	33.1 / 36.7

The binding sites of Magnesium atom in the F1-Atpase From Mycobacterium Smegmatis (pdb code 6foc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the F1-Atpase From Mycobacterium Smegmatis, PDB code: 6foc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the F1-Atpase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of F1-Atpase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1601 b:0.1 occ:1.00 O A:HOH1702 2.2 0.6 1.0 O2B A:ADP1600 2.2 0.7 1.0 O A:HOH1704 2.2 0.2 1.0 O A:HOH1701 2.2 0.9 1.0 O A:HOH1703 2.2 0.6 1.0 OG1 A:THR179 2.2 1.0 1.0 CB A:THR179 3.2 0.3 1.0 PB A:ADP1600 3.4 0.9 1.0 O2A A:ADP1600 3.5 0.4 1.0 O3B A:ADP1600 3.6 0.5 1.0 OD2 A:ASP272 4.0 0.3 1.0 CG2 A:THR179 4.1 0.8 1.0 N A:THR179 4.2 0.8 1.0 PA A:ADP1600 4.2 0.0 1.0 OD1 A:ASP272 4.2 0.7 1.0 CA A:THR179 4.3 0.9 1.0 O3A A:ADP1600 4.3 0.1 1.0 O1A A:ADP1600 4.5 0.8 1.0 O1B A:ADP1600 4.5 0.3 1.0 NE2 A:GLN211 4.5 0.8 1.0 CG A:ASP272 4.6 0.9 1.0

Magnesium binding site 2 out of 5 in the F1-Atpase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of F1-Atpase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:0.1 occ:1.00 O2B B:ADP600 2.2 0.8 1.0 O B:HOH702 2.2 0.5 1.0 O B:HOH703 2.2 0.4 1.0 O B:HOH701 2.2 0.3 1.0 OG1 B:THR179 2.2 0.7 1.0 O B:HOH704 2.2 0.2 1.0 PB B:ADP600 3.2 0.9 1.0 O1B B:ADP600 3.2 0.2 1.0 CB B:THR179 3.4 0.6 1.0 OD1 B:ASP272 3.8 0.9 1.0 OD2 B:ASP272 3.9 0.8 1.0 N B:THR179 4.0 0.4 1.0 O1A B:ADP600 4.1 0.0 1.0 O3B B:ADP600 4.2 0.1 1.0 CA B:THR179 4.3 0.1 1.0 CG B:ASP272 4.3 0.5 1.0 O3A B:ADP600 4.3 0.5 1.0 CG2 B:THR179 4.4 0.9 1.0 PA B:ADP600 4.5 0.6 1.0 NE2 B:GLN211 4.6 0.3 1.0 O2A B:ADP600 4.7 0.6 1.0 CB B:LYS178 4.7 0.9 1.0

Magnesium binding site 3 out of 5 in the F1-Atpase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of F1-Atpase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:0.0 occ:1.00 O C:HOH702 2.2 0.4 1.0 O2B C:ADP600 2.2 0.1 1.0 O C:HOH701 2.2 0.8 1.0 OG1 C:THR179 2.2 0.4 1.0 O C:HOH703 2.2 0.4 1.0 O C:HOH704 2.2 0.6 1.0 PB C:ADP600 3.2 0.5 1.0 CB C:THR179 3.3 0.9 1.0 O3B C:ADP600 3.4 1.0 1.0 OD1 C:ASP272 3.9 98.1 1.0 OD2 C:ASP272 3.9 99.6 1.0 N C:THR179 4.1 0.6 1.0 O1A C:ADP600 4.2 0.4 1.0 O1B C:ADP600 4.2 0.6 1.0 CA C:THR179 4.3 0.3 1.0 CG C:ASP272 4.3 99.0 1.0 CG2 C:THR179 4.3 0.6 1.0 O3A C:ADP600 4.4 0.3 1.0 PA C:ADP600 4.6 0.3 1.0 O2A C:ADP600 4.6 0.4 1.0 NE2 C:GLN211 4.6 0.8 1.0 CB C:LYS178 4.9 0.2 1.0

Magnesium binding site 4 out of 5 in the F1-Atpase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of F1-Atpase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:0.7 occ:1.00 OG1 D:THR167 2.2 0.5 1.0 O D:HOH701 2.2 0.0 1.0 O D:HOH702 2.2 0.9 1.0 O D:HOH703 2.2 0.3 1.0 O D:HOH704 2.2 0.6 1.0 O2B D:ADP600 2.2 0.7 1.0 OE1 D:GLU192 3.4 0.8 1.0 CB D:THR167 3.5 0.1 1.0 PB D:ADP600 3.5 0.6 1.0 NH1 D:ARG193 3.5 0.2 1.0 O2A D:ADP600 3.9 0.1 1.0 OE1 D:GLU196 3.9 0.3 1.0 O3B D:ADP600 4.0 0.5 1.0 OD2 D:ASP254 4.1 0.0 1.0 NH1 C:ARG376 4.2 0.7 1.0 O3A D:ADP600 4.2 0.3 1.0 N D:THR167 4.3 0.3 1.0 OD1 D:ASP254 4.3 0.2 1.0 PA D:ADP600 4.3 0.7 1.0 O1A D:ADP600 4.3 0.9 1.0 OE2 D:GLU196 4.3 0.5 1.0 CG2 D:THR167 4.3 0.2 1.0 CD D:GLU192 4.3 0.2 1.0 CA D:THR167 4.4 0.6 1.0 CD D:GLU196 4.6 0.0 1.0 CG D:ASP254 4.6 0.5 1.0 O1B D:ADP600 4.7 1.0 1.0 CZ D:ARG193 4.8 0.0 1.0 CB D:LYS166 4.9 0.8 1.0 CE D:LYS166 5.0 0.5 1.0 CG D:GLU192 5.0 0.9 1.0

Magnesium binding site 5 out of 5 in the F1-Atpase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of F1-Atpase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg601 b:0.2 occ:1.00 OG1 F:THR167 2.2 0.7 1.0 O F:HOH701 2.2 0.3 1.0 O F:HOH702 2.2 0.9 1.0 O F:HOH704 2.2 0.4 1.0 O F:HOH703 2.2 0.0 1.0 O2B F:ADP600 2.2 0.3 1.0 PB F:ADP600 3.3 0.7 1.0 CB F:THR167 3.4 0.5 1.0 O1B F:ADP600 3.5 0.9 1.0 NH1 F:ARG193 3.6 0.2 1.0 OE1 F:GLU192 3.7 0.5 1.0 OE1 F:GLU196 4.0 0.7 1.0 O1A F:ADP600 4.0 0.3 1.0 N F:THR167 4.1 0.9 1.0 OE2 F:GLU196 4.3 0.0 1.0 CG2 F:THR167 4.3 0.3 1.0 CA F:THR167 4.3 0.4 1.0 OD2 F:ASP254 4.4 0.8 1.0 O3B F:ADP600 4.4 0.5 1.0 O3A F:ADP600 4.4 0.7 1.0 PA F:ADP600 4.5 0.3 1.0 O2A F:ADP600 4.5 0.5 1.0 CD F:GLU196 4.6 0.5 1.0 OD1 F:ASP254 4.6 0.1 1.0 CD F:GLU192 4.7 0.5 1.0 CZ F:ARG193 4.8 0.7 1.0 CB F:LYS166 4.8 0.4 1.0 CG F:ASP254 4.9 0.7 1.0 CE F:LYS166 5.0 0.8 1.0

A.T.Zhang, M.G.Montgomery, A.G.W.Leslie, G.M.Cook, J.E.Walker. The Structure of the Catalytic Domain of the Atp Synthase Frommycobacterium Smegmatisis A Target For Developing Antitubercular Drugs. Proc.Natl.Acad.Sci.Usa V. 116 4206 2019.
ISSN: ESSN 1091-6490
PubMed: 30683723
DOI: 10.1073/PNAS.1817615116