Bromine in PDB 7q2e: Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424

The structure of Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424, PDB code: 7q2e 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)	49.17 / 1.93
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.772, 56.772, 207.019, 90, 90, 120
R / Rfree (%)	18.5 / 23.7

The binding sites of Bromine atom in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424 (pdb code 7q2e). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424, PDB code: 7q2e:

Bromine binding site 1 out of 1 in the Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Mycolic Acid Methyltransferase Hma (MMAA4) From Mycobac-Terium Tuberculosis in Complex with ZT424 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:113.7 occ:1.00 BR1 A:8N0401 0.0 113.7 1.0 C07 A:8N0401 1.9 112.6 1.0 N06 A:8N0401 2.9 112.2 1.0 C02 A:8N0401 2.9 130.6 1.0 O01 A:8N0401 3.0 86.0 1.0 N A:GLY81 3.8 56.8 1.0 O A:HOH572 3.9 68.5 1.0 O A:LEU102 4.0 59.0 1.0 CG2 A:ILE80 4.0 55.8 1.0 CA A:GLY131 4.0 68.1 1.0 O A:GLN130 4.1 66.8 1.0 C05 A:8N0401 4.1 124.1 1.0 CB A:LEU102 4.1 61.4 1.0 CA A:GLY81 4.2 61.9 1.0 C03 A:8N0401 4.2 111.7 1.0 C A:LEU102 4.2 58.8 1.0 N A:TRP132 4.4 60.2 1.0 C A:ILE80 4.5 56.2 1.0 CG A:LEU104 4.6 86.3 1.0 N A:THR103 4.6 66.5 1.0 CA A:THR103 4.6 66.9 1.0 C A:GLY131 4.7 70.9 1.0 C04 A:8N0401 4.7 116.6 1.0 CA A:LEU102 4.9 58.5 1.0 C A:GLN130 4.9 60.4 1.0 N A:GLY131 4.9 70.7 1.0 CA A:ILE80 4.9 54.3 1.0 C A:THR103 4.9 65.8 1.0 CD1 A:LEU104 4.9 91.0 1.0 CD1 A:TRP132 5.0 66.0 1.0 N A:LEU104 5.0 68.8 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