Magnesium in PDB 4kn4: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B

All present enzymatic activity of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B:
2.7.7.6;

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B, PDB code: 4kn4 was solved by K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.77 / 3.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	184.675, 203.975, 307.910, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 31.5

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B (pdb code 4kn4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B, PDB code: 4kn4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1503 b:24.8 occ:1.00 OD2 D:ASP462 2.1 36.7 1.0 OD1 D:ASP464 2.1 70.6 1.0 OD2 D:ASP464 2.5 51.5 1.0 CG D:ASP464 2.7 43.5 1.0 CG D:ASP462 3.0 49.7 1.0 CB D:ASP462 3.2 24.1 1.0 CB D:ASP460 3.9 32.1 1.0 NH2 D:ARG425 4.1 11.6 1.0 N D:ASP462 4.2 79.8 1.0 CB D:ASP464 4.2 21.6 1.0 OD1 D:ASP462 4.2 48.5 1.0 CA D:ASP462 4.3 70.8 1.0 O D:ASP460 4.4 30.1 1.0 C D:ASP460 4.5 23.5 1.0 N D:ASP460 4.5 20.7 1.0 CA D:ASP460 4.6 29.7 1.0 CG D:ASP460 4.9 52.3 1.0 N D:ASP464 4.9 0.5 1.0 CA D:ASP464 5.0 0.1 1.0 C D:ASP462 5.0 68.6 1.0

Magnesium binding site 2 out of 2 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg1503 b:20.1 occ:1.00 OD2 I:ASP462 2.1 83.0 1.0 CG I:ASP462 2.5 54.5 1.0 CB I:ASP462 2.5 11.2 1.0 OD1 I:ASP464 3.1 33.8 1.0 OD2 I:ASP464 3.5 36.3 1.0 OD1 I:ASP462 3.6 36.1 1.0 CG I:ASP464 3.7 28.4 1.0 NZ H:LYS1073 3.8 67.8 1.0 CA I:ASP462 3.9 45.8 1.0 N I:ASP462 4.3 74.9 1.0 CD H:LYS1073 4.5 39.6 1.0 C I:ASP462 4.6 42.2 1.0 CE H:LYS1073 4.7 30.0 1.0 CB I:ASP460 4.9 96.4 1.0 O I:ASP462 4.9 66.0 1.0

V.Molodtsov, I.N.Nawarathne, N.T.Scharf, P.D.Kirchhoff, H.D.Showalter, G.A.Garcia, K.S.Murakami. X-Ray Crystal Structures of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycins. J.Med.Chem. V. 56 4758 2013.
ISSN: ISSN 0022-2623
PubMed: 23679862
DOI: 10.1021/JM4004889