Magnesium in PDB 6rpn: Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308.

The structure of Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308., PDB code: 6rpn was solved by A.Parkova, A.Lucic, J.Brem, M.A.Mcdonough, G.W.Langley, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.34 / 1.41
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.081, 79.155, 67.746, 90.00, 130.03, 90.00
R / Rfree (%)	12.9 / 15.6

The structure of Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308. also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Magnesium atom in the Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308. (pdb code 6rpn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308., PDB code: 6rpn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg508 b:33.9 occ:1.00 O B:HOH880 2.1 15.3 0.5 N B:GLY31 2.1 53.1 1.0 CA B:GLY31 3.6 49.6 1.0 O B:GLY31 4.0 67.7 1.0 O B:HOH880 4.2 15.6 0.5 C B:GLY31 4.3 58.4 1.0 O B:HOH710 5.0 28.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Metallo Beta Lactamase Vim-2 with Cyclic Boronate APC308. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg509 b:27.6 occ:1.00 O B:HOH841 2.1 23.9 1.0 O B:HOH813 2.1 27.6 1.0 O B:HOH745 2.1 26.6 1.0 O A:HOH742 2.4 26.5 0.5 O B:HOH896 2.5 34.3 0.5 O B:HOH605 3.8 38.1 1.0 O B:SER37 4.0 20.4 1.0 O A:HOH429 4.4 22.8 1.0 O B:HOH642 4.4 49.8 1.0 O B:GLU38 4.4 22.5 1.0 O A:HOH653 4.5 29.2 1.0 CG B:PRO40 4.5 43.8 1.0 CA B:GLU38 4.6 18.2 0.5 C B:GLU38 4.6 21.3 1.0 CA B:GLU38 4.6 16.3 0.5 O B:HOH750 4.6 29.9 1.0 CD B:PRO40 4.8 28.4 1.0

A.Parkova, A.Lucic, A.Krajnc, J.Brem, K.Calvopina, G.W.Langley, M.A.Mcdonough, P.Trapencieris, C.J.Schofield. Broad Spectrum Beta-Lactamase Inhibition By A Thioether Substituted Bicyclic Boronate. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 31841636
DOI: 10.1021/ACSINFECDIS.9B00330