Magnesium in PDB 5xd3: Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with Atp (I)

The structure of Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with Atp (I), PDB code: 5xd3 was solved by S.M.Arif, U.Varshney, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.81 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.030, 84.210, 43.790, 90.00, 92.89, 90.00
R / Rfree (%)	16.2 / 20.4

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with Atp (I) (pdb code 5xd3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with Atp (I), PDB code: 5xd3:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Smegmatis MUTT1 in Complex with Atp (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 Atp (I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:30.9 occ:1.00 O1G A:ATP401 1.9 48.0 1.0 O A:HOH574 2.2 37.9 1.0 O A:HOH693 2.3 33.1 1.0 OE2 A:GLU85 2.3 39.9 1.0 O A:LYS65 2.3 23.0 1.0 O A:HOH558 2.4 26.3 1.0 PG A:ATP401 3.1 50.5 1.0 CD A:GLU85 3.3 32.3 1.0 O3G A:ATP401 3.3 54.9 1.0 C A:LYS65 3.5 25.0 1.0 OE1 A:GLU85 3.7 33.2 1.0 O3B A:ATP401 3.7 41.9 1.0 NH2 A:ARG55 3.8 25.9 1.0 OE1 A:GLU81 4.1 35.4 1.0 CA A:GLY66 4.1 23.1 1.0 O2G A:ATP401 4.3 42.0 1.0 N A:GLY66 4.3 21.7 1.0 O A:HOH742 4.3 53.2 1.0 N A:LYS65 4.3 25.2 1.0 CA A:LYS65 4.5 24.7 1.0 O A:HOH505 4.6 38.5 1.0 CG A:GLU85 4.6 27.2 1.0 CD A:LYS65 4.6 32.6 1.0 CG A:LYS65 4.7 29.7 1.0 O A:HOH604 4.7 21.3 1.0 CD A:GLU81 4.8 32.7 1.0 O A:HOH538 4.8 52.6 1.0 CZ A:ARG55 4.9 25.9 1.0

S.M.Arif, U.Varshney, M.Vijayan. Hydrolysis of Diadenosine Polyphosphates. Exploration of An Additional Role of Mycobacterium Smegmatis MUTT1 J. Struct. Biol. V. 199 165 2017.
ISSN: ESSN 1095-8657
PubMed: 28705712
DOI: 10.1016/J.JSB.2017.07.002