Magnesium in PDB 4kmu: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin

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

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin, PDB code: 4kmu 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)	29.97 / 3.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	184.520, 203.873, 307.871, 90.00, 90.00, 90.00
R / Rfree (%)	26.4 / 32.1

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


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 Rifampin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1503 b:24.8 occ:1.00 OD2 D:ASP462 2.4 38.4 1.0 OD1 D:ASP464 2.5 0.4 1.0 OD2 D:ASP464 3.0 0.3 1.0 CG D:ASP464 3.1 97.3 1.0 CG D:ASP462 3.4 51.4 1.0 CB D:ASP460 3.6 77.1 1.0 CB D:ASP462 3.7 25.8 1.0 NH2 D:ARG425 3.9 28.6 1.0 N D:ASP460 4.3 39.7 1.0 CA D:ASP460 4.4 48.8 1.0 CG D:ASP460 4.4 97.2 1.0 O D:ASP460 4.5 49.1 1.0 C D:ASP460 4.5 42.5 1.0 N D:ASP462 4.5 0.1 1.0 OD1 D:ASP462 4.6 50.2 1.0 CB D:ASP464 4.6 75.5 1.0 CA D:ASP462 4.7 0.1 1.0 OD1 D:ASP460 4.9 69.1 1.0

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


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 Rifampin within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg1503 b:20.1 occ:1.00 OD2 I:ASP462 2.6 87.7 1.0 CB I:ASP462 3.1 15.8 1.0 CG I:ASP462 3.1 59.2 1.0 OD1 I:ASP464 3.3 10.9 1.0 OD2 I:ASP464 3.5 13.5 1.0 CG I:ASP464 3.8 5.6 1.0 NZ H:LYS1073 3.8 89.4 1.0 OD1 I:ASP462 4.2 40.8 1.0 CA I:ASP462 4.5 42.2 1.0 N I:ASP462 4.9 47.7 1.0 CE H:LYS1073 4.9 51.7 1.0 CD H:LYS1073 5.0 61.3 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