Magnesium in PDB 8cci: Crystal Structure of Mycobacterium Smegmatis Thioredoxin Reductase

The structure of Crystal Structure of Mycobacterium Smegmatis Thioredoxin Reductase, PDB code: 8cci was solved by F.T.Fuesser, O.Koch, D.Kuemmel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.81 / 1.56
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.79, 67.79, 155.11, 90, 90, 120
R / Rfree (%)	20.9 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Smegmatis Thioredoxin Reductase (pdb code 8cci). 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 Thioredoxin Reductase, PDB code: 8cci:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Smegmatis Thioredoxin Reductase


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 Thioredoxin Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:36.0 occ:1.00 O A:GLY43 3.3 26.2 1.0 O A:HOH544 3.3 29.1 1.0 C A:GLY43 3.4 28.5 1.0 CA A:GLY43 3.8 24.7 1.0 O3B A:FAD401 3.8 24.8 1.0 N A:ALA44 3.9 23.6 1.0 C3B A:FAD401 3.9 22.6 1.0 O A:GLN40 4.0 28.8 1.0 CA A:ALA44 4.1 22.9 1.0 NH2 A:ARG245 4.3 32.3 1.0 N A:GLY43 4.3 25.0 1.0 O2B A:FAD401 4.4 23.9 1.0 CG2 A:THR47 4.4 48.4 1.0 C2B A:FAD401 4.6 23.2 1.0 O1A A:FAD401 5.0 25.4 1.0

F.T.Fuesser, J.Wollenhaupt, M.S.Weiss, D.Kuemmel, O.Koch. Novel Starting Points For Fragment-Based Drug Design Against Mycobacterial Thioredoxin Reductase Identified Using Crystallographic Fragment Screening Acta Crystallogr.,Sect.D 2023.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798323005223