Magnesium in PDB 5gg7: Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I)

The structure of Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I), PDB code: 5gg7 was solved by S.M.Arif, A.G.Patil, U.Varshney, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.000, 85.350, 87.430, 90.00, 94.06, 90.00
R / Rfree (%)	19.6 / 23.6

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I) (pdb code 5gg7). 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 Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I), PDB code: 5gg7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I)


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 Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:15.8 occ:1.00 O3G A:8DG401 1.9 28.3 1.0 OE2 A:GLU85 2.1 22.5 1.0 O A:HOH585 2.2 30.3 1.0 O A:LYS65 2.3 18.4 1.0 O A:HOH726 2.4 26.6 1.0 O A:HOH636 2.4 23.0 1.0 CD A:GLU85 3.2 26.1 1.0 PG A:8DG401 3.2 33.1 1.0 C A:LYS65 3.5 19.6 1.0 O1G A:8DG401 3.5 36.4 1.0 OE1 A:GLU85 3.6 23.1 1.0 O3B A:8DG401 3.8 35.4 1.0 O A:HOH630 3.9 38.8 1.0 CA A:GLY66 4.0 19.2 1.0 NZ A:LYS65 4.0 24.0 1.0 NH2 A:ARG55 4.1 23.4 1.0 N A:GLY66 4.2 21.1 1.0 OE1 A:GLU81 4.2 26.9 1.0 O A:HOH810 4.3 41.0 1.0 N A:LYS65 4.4 17.9 1.0 O2G A:8DG401 4.5 32.2 1.0 CG A:GLU85 4.5 23.0 1.0 CA A:LYS65 4.5 17.6 1.0 O A:HOH510 4.6 33.7 1.0 CG A:LYS65 4.7 21.9 1.0 O A:HOH587 4.7 17.6 1.0 O A:HOH637 4.8 34.5 1.0 CD A:LYS65 4.9 24.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I)


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 Mycobacterium Smegmatis MUTT1 in Complex with 8- Oxo-Dgtp, 8-Oxo-Dgmp and Pyrophosphate (I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:18.1 occ:1.00 O3G B:8DG401 2.1 28.4 1.0 O B:LYS65 2.3 19.6 1.0 OE2 B:GLU85 2.3 28.7 1.0 O B:HOH713 2.4 23.2 1.0 O B:HOH602 2.4 21.9 1.0 O B:HOH628 2.4 27.4 1.0 CD B:GLU85 3.3 24.4 1.0 PG B:8DG401 3.4 32.4 1.0 C B:LYS65 3.5 20.4 1.0 OE1 B:GLU85 3.5 23.5 1.0 O1G B:8DG401 3.5 32.0 1.0 CA B:GLY66 4.0 20.0 1.0 O3B B:8DG401 4.0 37.6 1.0 NZ B:LYS65 4.0 26.5 1.0 O B:HOH565 4.0 38.9 1.0 NH2 B:ARG55 4.1 25.0 1.0 N B:GLY66 4.2 19.0 1.0 OE1 B:GLU81 4.2 26.6 1.0 O B:HOH791 4.2 44.8 1.0 O B:HOH517 4.4 31.3 1.0 N B:LYS65 4.5 18.8 1.0 CA B:LYS65 4.6 19.0 1.0 CG B:GLU85 4.6 22.1 1.0 O2G B:8DG401 4.6 31.8 1.0 O B:HOH610 4.6 34.1 1.0 CG B:LYS65 4.8 21.5 1.0 O B:HOH559 4.8 19.8 1.0 CD B:LYS65 4.9 25.0 1.0 CD B:GLU81 5.0 27.0 1.0

S.M.Arif, A.G.Patil, U.Varshney, M.Vijayan. Biochemical and Structural Studies of Mycobacterium Smegmatis MUTT1, A Sanitization Enzyme with Unusual Modes of Association Acta Crystallogr D Struct V. 73 349 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28375146
DOI: 10.1107/S2059798317002534