Magnesium in PDB 4kn7: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C

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

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C, PDB code: 4kn7 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)	29.88 / 3.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	185.830, 204.579, 308.701, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 30.9

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C 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-2C (pdb code 4kn7). 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-2C, PDB code: 4kn7:
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-2C


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-2C within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1503 b:24.8 occ:1.00 OD2 D:ASP462 2.4 74.2 1.0 OD1 D:ASP464 2.6 0.5 1.0 OD2 D:ASP464 3.2 89.4 1.0 CG D:ASP462 3.2 87.2 1.0 CG D:ASP464 3.3 81.4 1.0 CB D:ASP462 3.4 61.6 1.0 CB D:ASP460 4.1 71.0 1.0 OD1 D:ASP462 4.4 86.0 1.0 NH2 D:ARG425 4.5 28.6 1.0 N D:ASP462 4.5 18.1 1.0 CA D:ASP462 4.5 9.2 1.0 CB D:ASP464 4.8 59.5 1.0 O D:ASP460 4.9 44.7 1.0 CA D:ASP460 4.9 44.3 1.0 N D:ASP460 4.9 35.3 1.0 C D:ASP460 4.9 38.1 1.0 CG D:ASP460 5.0 91.1 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-2C


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-2C within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg1503 b:20.1 occ:1.00 OD2 I:ASP462 2.8 0.8 1.0 CB I:ASP462 3.3 45.0 1.0 OD1 I:ASP464 3.3 45.4 1.0 CG I:ASP462 3.3 88.3 1.0 OD2 I:ASP464 3.6 47.9 1.0 CG I:ASP464 3.8 40.0 1.0 NZ H:LYS1073 3.8 48.7 1.0 OD1 I:ASP462 4.4 69.9 1.0 CA I:ASP462 4.6 13.4 1.0 CD H:LYS1073 4.9 20.6 1.0 N I:ASP462 4.9 42.5 1.0 CE H:LYS1073 5.0 11.0 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