Magnesium in PDB 6vjs: Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex

All present enzymatic activity of Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex:
2.7.7.6;

The structure of Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex, PDB code: 6vjs was solved by K.S.Murakami, V.Molodtsov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.09 / 4.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	187.077, 205.501, 309.880, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 27.6

The structure of Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex (pdb code 6vjs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex, PDB code: 6vjs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1504 b:58.7 occ:1.00 OD1 D:ASP462 2.0 0.9 1.0 OD1 D:ASP464 2.3 0.9 1.0 CB D:ASP460 2.8 0.2 1.0 CG D:ASP462 2.9 0.8 1.0 CG D:ASP464 2.9 0.6 1.0 OD2 D:ASP464 2.9 0.2 1.0 OD2 D:ASP462 3.1 0.3 1.0 CG D:ASP460 3.5 0.3 1.0 OD1 D:ASP460 3.6 0.2 1.0 CA D:ASP460 3.9 0.5 1.0 N D:ASP460 4.0 0.5 1.0 NH2 D:ARG425 4.0 0.9 1.0 CB D:ASP462 4.3 0.6 1.0 N D:ASP462 4.3 0.0 1.0 CB D:ASP464 4.3 0.7 1.0 C D:ASP460 4.4 0.1 1.0 OD2 D:ASP460 4.5 0.3 1.0 N D:ASP464 4.7 0.0 1.0 CA D:ASP462 4.7 0.6 1.0 N D:PHE461 4.7 0.5 1.0 C D:ASP462 4.8 0.2 1.0 N D:GLY463 4.9 0.9 1.0 O D:ASP460 5.0 0.9 1.0 CA D:ASP464 5.0 0.9 1.0

Magnesium binding site 2 out of 2 in the Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Escherichia Coli Rna Polymerase and Ureidothiophene-2-Carboxylic Acid Complex within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg1503 b:0.0 occ:1.00 OD2 I:ASP464 2.3 0.6 1.0 OD1 I:ASP462 2.4 0.4 1.0 OD1 I:ASP464 2.6 0.1 1.0 CG I:ASP464 2.8 0.4 1.0 CB I:ASP460 2.9 0.2 1.0 OD2 I:ASP462 3.0 0.2 1.0 CG I:ASP462 3.0 0.2 1.0 CG I:ASP460 3.6 0.9 1.0 OD1 I:ASP460 3.6 0.1 1.0 NH2 I:ARG425 3.7 0.5 1.0 N I:ASP460 3.9 0.4 1.0 CA I:ASP460 3.9 0.6 1.0 CB I:ASP464 4.3 0.3 1.0 CB I:ASP462 4.4 0.4 1.0 C I:ASP460 4.5 1.0 1.0 OD2 I:ASP460 4.6 0.1 1.0 N I:ASP462 4.6 0.3 1.0 CZ I:ARG425 4.8 0.7 1.0 N I:PHE461 4.9 0.1 1.0 N I:ASP464 4.9 0.7 1.0 CA I:ASP462 5.0 0.3 1.0

J.Haupenthal, Y.Kautz, W.A.M.Elgaher, L.Patzold, T.Rohrig, M.W.Laschke, T.Tschernig, A.K.H.Hirsch, V.Molodtsov, K.S.Murakami, R.W.Hartmann, M.Bischoff. Evaluation of Bacterial Rna Polymerase Inhibitors in A Staphylococcus Aureus -Based Wound Infection Model in SKH1 Mice. Acs Infect Dis. V. 6 2573 2020.
ISSN: ESSN 2373-8227
PubMed: 32886885
DOI: 10.1021/ACSINFECDIS.0C00034