Magnesium in PDB 6cux: Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A

All present enzymatic activity of Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A:
2.7.7.6;

The structure of Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A, PDB code: 6cux was solved by V.Molodtsov, K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.03 / 4.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	188.167, 204.685, 311.577, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.5

The structure of Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A (pdb code 6cux). 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 Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A, PDB code: 6cux:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1501 b:0.3 occ:1.00 OD2 D:ASP462 1.9 0.4 1.0 CG D:ASP462 2.7 0.5 1.0 OD1 D:ASP464 2.7 0.1 1.0 OD1 D:ASP460 2.8 0.0 1.0 OD1 D:ASP462 2.8 0.7 1.0 OD2 D:ASP464 3.0 0.1 1.0 CG D:ASP464 3.2 0.5 1.0 CG D:ASP460 3.7 0.1 1.0 CB D:ASP460 3.8 0.4 1.0 CB D:ASP462 4.1 0.3 1.0 CB D:ASP464 4.7 0.2 1.0 N D:ASP464 4.8 0.1 1.0 CE C:LYS1073 4.8 0.8 1.0 O D:ASP462 4.9 0.8 1.0 N D:ASP462 4.9 0.1 1.0 CA D:ASP462 4.9 0.8 1.0 OD2 D:ASP460 4.9 0.7 1.0 C D:ASP462 5.0 0.3 1.0 CA D:ASP460 5.0 0.8 1.0

Magnesium binding site 2 out of 2 in the Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Escherichia Coli Rpob S531L Mutant Rna Polymerase Holoenzyme in Complex with Kanglemycin A within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg1501 b:0.0 occ:1.00 OD2 J:ASP462 1.6 0.1 1.0 CG J:ASP462 2.4 0.4 1.0 OD1 J:ASP462 2.5 0.3 1.0 OD2 J:ASP464 2.7 0.7 1.0 OD1 J:ASP460 2.8 0.3 1.0 CB J:ASP460 2.9 0.9 1.0 OD1 J:ASP464 3.0 0.3 1.0 CG J:ASP464 3.1 0.9 1.0 CG J:ASP460 3.3 0.1 1.0 CB J:ASP462 3.8 0.6 1.0 CA J:ASP460 4.2 0.2 1.0 N J:ASP462 4.2 0.4 1.0 N J:ASP464 4.4 0.4 1.0 CA J:ASP462 4.4 0.6 1.0 N J:ASP460 4.4 0.4 1.0 CB J:ASP464 4.5 0.4 1.0 C J:ASP462 4.5 0.2 1.0 C J:ASP460 4.6 0.8 1.0 OD2 J:ASP460 4.6 0.7 1.0 O J:ASP462 4.8 0.9 1.0 CA J:ASP464 4.8 0.9 1.0 N J:GLY463 4.8 1.0 1.0 NH1 J:ARG425 5.0 0.6 1.0

H.Mosaei, V.Molodtsov, B.Kepplinger, J.Harbottle, C.W.Moon, R.E.Jeeves, L.Ceccaroni, Y.Shin, S.Morton-Laing, E.C.L.Marrs, C.Wills, W.Clegg, Y.Yuzenkova, J.D.Perry, J.Bacon, J.Errington, N.E.E.Allenby, M.J.Hall, K.S.Murakami, N.Zenkin. Mode of Action of Kanglemycin A, An Ansamycin Natural Product That Is Active Against Rifampicin-Resistant Mycobacterium Tuberculosis. Mol. Cell V. 72 263 2018.
ISSN: ISSN 1097-4164
PubMed: 30244835
DOI: 10.1016/J.MOLCEL.2018.08.028