Magnesium in PDB 4zil: Crystal Structure of RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State

The structure of Crystal Structure of RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State, PDB code: 4zil was solved by D.Albesa-Jove, S.Urresti, N.Comino, M.Tersa, M.E.Guerin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.26 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.649, 46.814, 104.308, 90.00, 97.97, 90.00
R / Rfree (%)	13.1 / 17.6

The binding sites of Magnesium atom in the Crystal Structure of RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State (pdb code 4zil). 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 RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State, PDB code: 4zil:

Magnesium binding site 1 out of 1 in the Crystal Structure of RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State


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 RV2466C and Oxidoreductase From Mycobacterium Tuberculosis in Its Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:38.3 occ:1.00 O A:HOH537 2.0 34.9 1.0 O A:HOH544 2.0 30.7 1.0 O A:HOH440 2.1 25.1 1.0 O A:HOH437 2.1 38.0 1.0 ND1 A:HIS43 2.2 17.6 1.0 O A:HOH555 2.7 34.1 1.0 CE1 A:HIS43 3.0 16.3 1.0 CG A:HIS43 3.4 13.9 1.0 OE2 A:GLU79 3.7 25.0 1.0 O A:HOH446 3.8 14.9 1.0 CB A:HIS43 3.8 12.4 1.0 NE2 A:HIS43 4.2 14.2 1.0 O A:PHE42 4.3 13.3 1.0 CA A:HIS43 4.3 11.1 1.0 O A:HOH505 4.3 24.0 1.0 CD2 A:HIS43 4.4 13.8 1.0 CD A:GLU79 4.7 21.2 1.0 O A:HOH478 4.9 39.3 1.0 OE1 A:GLU79 4.9 20.8 1.0

D.Albesa-Jove, N.Comino, M.Tersa, E.Mohorko, S.Urresti, E.Dainese, L.R.Chiarelli, M.R.Pasca, R.Manganelli, V.Makarov, G.Riccardi, D.I.Svergun, R.Glockshuber, M.E.Guerin. The Redox State Regulates the Conformation of RV2466C to Activate the Antitubercular Prodrug TP053. J.Biol.Chem. V. 290 31077 2015.
ISSN: ESSN 1083-351X
PubMed: 26546681
DOI: 10.1074/JBC.M115.677039