Magnesium in PDB 5mpq: Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases

The structure of Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases, PDB code: 5mpq was solved by A.H.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.84 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.834, 71.561, 121.123, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases (pdb code 5mpq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases, PDB code: 5mpq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:39.6 occ:1.00 O A:GLU457 3.0 17.1 1.0 O A:HOH989 3.5 33.8 1.0 O A:HOH850 3.5 33.3 1.0 O A:GLN456 3.6 18.8 1.0 C A:GLU457 3.9 16.0 1.0 O A:HOH1048 3.9 49.3 1.0 OS1 A:BLG601 3.9 52.0 1.0 CA A:GLU457 4.2 17.6 1.0 O A:HOH990 4.2 31.1 1.0 O A:HOH973 4.3 27.1 1.0 OE1 A:GLU457 4.6 25.3 1.0 C12 A:BLG601 4.6 40.7 1.0 C A:GLN456 4.6 19.6 1.0 O A:HOH997 4.6 39.6 1.0 NE2 A:GLN456 4.7 22.1 1.0 S A:BLG601 4.9 50.0 1.0 N A:GLU457 5.0 14.5 1.0

Magnesium binding site 2 out of 2 in the Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:35.1 occ:1.00 N A:SER555 3.3 17.2 1.0 OG A:SER555 3.6 32.7 1.0 O A:PRO553 3.7 24.8 1.0 O A:HOH916 3.9 22.9 1.0 CB A:SER555 4.0 17.2 1.0 CA A:PHE554 4.0 23.7 1.0 C A:PHE554 4.1 19.8 1.0 NE2 A:GLN232 4.2 36.3 1.0 CA A:SER555 4.3 24.6 1.0 C A:PRO553 4.6 16.0 1.0 N A:PHE554 4.8 20.6 1.0 CB A:PHE554 4.9 23.5 1.0

A.H.Williams, R.Wheeler, C.Thiriau, A.Haouz, M.K.Taha, I.G.Boneca. Bulgecin A: the Key to A Broad-Spectrum Inhibitor That Targets Lytic Transglycosylases. Antibiotics V. 6 2017.
ISSN: ESSN 2079-6382
PubMed: 28241458
DOI: 10.3390/ANTIBIOTICS6010008