Magnesium in PDB 4qvh: Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein

The structure of Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein, PDB code: 4qvh was solved by J.Jung, G.Bashiri, J.M.Johnston, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.83 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.699, 126.029, 143.960, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19.1

The binding sites of Magnesium atom in the Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein (pdb code 4qvh). 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 the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein, PDB code: 4qvh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein


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 the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:29.6 occ:1.00 O A:HOH754 2.3 29.6 1.0 O4A A:COA602 2.3 23.0 1.0 O A:ALA486 2.4 20.6 1.0 OE2 A:GLU487 2.5 26.3 1.0 OD1 A:ASP485 2.5 20.6 1.0 O2A A:COA602 3.0 20.5 1.0 CG A:ASP485 3.3 21.1 1.0 CD A:GLU487 3.3 27.2 1.0 OD2 A:ASP485 3.4 21.0 1.0 P2A A:COA602 3.5 23.9 1.0 C A:ALA486 3.5 20.1 1.0 O A:HOH772 3.7 37.6 1.0 CG A:GLU487 3.8 24.6 1.0 P1A A:COA602 3.8 20.2 1.0 O3A A:COA602 3.8 22.8 1.0 OE1 A:GLU528 3.9 29.4 1.0 OG1 A:THR463 4.0 20.4 1.0 N A:ALA486 4.0 22.1 1.0 OE1 A:GLU487 4.3 28.6 1.0 N A:GLU487 4.4 20.7 1.0 O5A A:COA602 4.4 23.8 1.0 CA A:ALA486 4.4 20.0 1.0 O1A A:COA602 4.5 24.1 1.0 CD A:GLU528 4.5 26.5 1.0 CA A:GLU487 4.5 22.2 1.0 OE2 A:GLU528 4.6 26.0 1.0 CB A:ASP485 4.6 19.3 1.0 O6A A:COA602 4.7 23.0 1.0 CB A:CYS465 4.7 20.7 1.0 CB A:GLU487 4.7 24.7 1.0 C A:ASP485 4.8 20.5 1.0 CA A:ASP485 4.9 19.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein


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 the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:22.7 occ:1.00 O4A B:COA602 2.2 20.7 1.0 O B:HOH707 2.3 21.4 1.0 OE2 B:GLU487 2.4 22.9 1.0 O B:ALA486 2.4 20.0 1.0 OD1 B:ASP485 2.5 18.6 1.0 O2A B:COA602 3.1 19.3 1.0 CD B:GLU487 3.2 22.4 1.0 CG B:ASP485 3.3 19.1 1.0 OD2 B:ASP485 3.4 18.8 1.0 C B:ALA486 3.5 18.8 1.0 P2A B:COA602 3.5 19.7 1.0 OE1 B:GLU528 3.7 24.8 1.0 CG B:GLU487 3.7 19.1 1.0 O3A B:COA602 3.7 17.8 1.0 O B:HOH729 3.7 26.5 1.0 P1A B:COA602 3.8 17.8 1.0 OG1 B:THR463 4.0 18.4 1.0 N B:ALA486 4.1 16.1 1.0 OE1 B:GLU487 4.2 21.6 1.0 O5A B:COA602 4.3 21.7 1.0 N B:GLU487 4.3 17.2 1.0 CA B:GLU487 4.4 16.9 1.0 O1A B:COA602 4.4 18.9 1.0 CA B:ALA486 4.4 16.2 1.0 CD B:GLU528 4.5 22.7 1.0 CB B:GLU487 4.6 17.8 1.0 CB B:ASP485 4.6 16.8 1.0 O6A B:COA602 4.7 18.6 1.0 OE2 B:GLU528 4.7 24.1 1.0 C B:ASP485 4.8 17.6 1.0 CB B:CYS465 4.8 20.4 1.0 CA B:ASP485 4.9 15.8 1.0 O B:HIS464 5.0 21.7 1.0

J.Jung, G.Bashiri, J.M.Johnston, A.S.Brown, D.F.Ackerley, E.N.Baker. Crystal Structure of the Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein with Maltose Binding Protein. J.Struct.Biol. V. 188 274 2014.
ISSN: ISSN 1047-8477
PubMed: 25450595
DOI: 10.1016/J.JSB.2014.10.004