Magnesium in PDB 7q2b: Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218

The structure of Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218, PDB code: 7q2b was solved by L.Maveyraud, R.Galy, L.Mourey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.25 / 1.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.289, 57.289, 205.992, 90, 90, 120
R / Rfree (%)	16.7 / 20.6

The binding sites of Magnesium atom in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218 (pdb code 7q2b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218, PDB code: 7q2b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:72.0 occ:1.00 NE A:ARG40 3.8 92.8 1.0 NE A:ARG111 3.8 52.9 1.0 CZ A:ARG40 3.9 80.7 1.0 CD A:ARG40 4.0 80.2 1.0 CE3 A:TRP84 4.1 47.5 1.0 CZ A:ARG111 4.1 53.1 1.0 CD A:ARG111 4.2 54.1 1.0 CG A:ARG111 4.2 49.8 1.0 NH1 A:ARG40 4.3 76.0 1.0 CZ3 A:TRP84 4.3 52.1 1.0 NH2 A:ARG40 4.3 78.6 1.0 CD2 A:TRP84 4.4 46.6 1.0 NH2 A:ARG111 4.5 57.9 1.0 NH1 A:ARG111 4.6 47.2 1.0 O A:HOH610 4.6 51.0 1.0 CG A:ARG40 4.7 54.2 1.0 CH2 A:TRP84 4.8 55.6 1.0 CE2 A:TRP84 4.8 51.8 1.0 CG A:TRP84 4.9 42.1 1.0

Magnesium binding site 2 out of 2 in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT218 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:72.5 occ:1.00 CA A:GLY277 3.9 53.8 1.0 CB A:HIS280 4.0 62.3 1.0 N A:GLY277 4.2 52.5 1.0 CG A:HIS280 4.3 62.2 1.0 O A:ARG276 4.4 51.0 1.0 CD2 A:HIS280 4.5 67.7 1.0 C A:ARG276 4.5 54.7 1.0 O A:GLY277 4.9 47.9 1.0 C A:GLY277 4.9 49.8 1.0

R.Galy, S.Ballereau, Y.Genisson, L.Mourey, J.C.Plaquevent, L.Maveyraud. Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobacterium Tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals V. 14 2021.
ISSN: ESSN 1424-8247
PubMed: 34959681
DOI: 10.3390/PH14121282