Magnesium in PDB 7mcj: Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918

The structure of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918, PDB code: 7mcj was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.19 / 1.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	100.85, 100.85, 49.69, 90, 90, 120
R / Rfree (%)	18.9 / 22.1

The structure of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 (pdb code 7mcj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918, PDB code: 7mcj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:35.5 occ:1.00 O A:HOH407 2.1 34.2 1.0 O A:GLY71 2.2 34.5 1.0 O A:HOH482 2.3 38.3 1.0 O A:ILE135 2.4 30.7 1.0 O A:HOH413 3.0 37.2 1.0 C A:GLY71 3.4 33.8 1.0 C A:ILE135 3.4 29.5 1.0 N A:ILE135 3.8 26.9 1.0 CA A:ILE135 3.9 25.6 1.0 CB A:ILE135 4.0 30.1 1.0 OD1 A:ASP69 4.0 39.1 1.0 CA A:CYS72 4.1 30.2 1.0 C A:CYS72 4.1 29.9 1.0 N A:CYS72 4.1 32.0 1.0 O A:HOH504 4.3 32.5 1.0 N A:GLY73 4.3 30.6 1.0 CA A:GLY71 4.4 31.8 1.0 OH A:TYR32 4.4 43.2 1.0 O A:ILE70 4.4 33.0 1.0 N A:GLY136 4.6 26.8 1.0 O A:CYS72 4.6 29.1 1.0 CL A:CL305 4.6 32.6 1.0 CG2 A:ILE135 4.6 32.0 1.0 OD2 A:ASP69 4.6 36.4 1.0 CG A:ASP69 4.7 35.8 1.0 N A:ALA137 4.8 34.0 1.0 C A:GLY136 4.9 32.9 1.0 CA A:GLY73 4.9 30.5 1.0 CA A:GLY136 4.9 30.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:33.2 occ:1.00 O B:HOH498 2.2 32.3 1.0 O B:ILE135 2.2 28.0 1.0 O B:HOH406 2.4 35.0 1.0 O B:GLY71 2.4 32.2 1.0 O B:HOH416 3.0 37.0 1.0 C B:ILE135 3.3 28.8 1.0 C B:GLY71 3.6 31.0 1.0 N B:ILE135 3.8 25.7 1.0 CA B:ILE135 3.8 24.3 1.0 CB B:ILE135 3.8 27.0 1.0 O B:HOH479 4.1 30.0 1.0 OD1 B:ASP69 4.2 37.1 1.0 C B:CYS72 4.2 30.6 1.0 CA B:CYS72 4.3 28.3 1.0 N B:GLY73 4.3 29.6 1.0 CG2 B:ILE135 4.3 25.9 1.0 N B:CYS72 4.4 29.5 1.0 N B:GLY136 4.5 27.3 1.0 CL B:CL305 4.5 29.7 1.0 OH B:TYR32 4.5 38.0 1.0 O B:CYS72 4.6 26.9 1.0 CA B:GLY71 4.6 31.2 1.0 O B:ILE70 4.7 28.8 1.0 OD2 B:ASP69 4.7 32.1 1.0 C B:GLY136 4.8 34.0 1.0 CA B:GLY136 4.8 31.7 1.0 CA B:GLY73 4.9 30.4 1.0 N B:ALA137 4.9 30.8 1.0 CG B:ASP69 4.9 33.7 1.0 C B:SER134 5.0 30.3 1.0

J.Abendroth, D.M.Dranow, G.Kahlert, S.M.Scarry, A.Grzegorzewicz, M.Jackson, J.Aube, D.R.Sherman, B.S.Gold, C.F.Nathan, R.L.Moritz, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of S-Adenosylmethionine-Dependent Methyltransferase Umaa From Mycobacterium Tuberculosis in Complex with Compound 8918 To Be Published.