Magnesium in PDB 4yfx: Escherichia Coli Rna Polymerase in Complex with Myxopyronin B

All present enzymatic activity of Escherichia Coli Rna Polymerase in Complex with Myxopyronin B:
2.7.7.6;

The structure of Escherichia Coli Rna Polymerase in Complex with Myxopyronin B, PDB code: 4yfx was solved by V.Molodtsov, P.R.Fleming, C.J.Eyermann, A.D.Ferguson, M.A.Foulk, D.C.Mckinney, C.E.Masse, E.T.Buurman, K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 3.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	188.520, 205.177, 310.140, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 30

The structure of Escherichia Coli Rna Polymerase in Complex with Myxopyronin B also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Escherichia Coli Rna Polymerase in Complex with Myxopyronin B (pdb code 4yfx). 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 in Complex with Myxopyronin B, PDB code: 4yfx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Escherichia Coli Rna Polymerase in Complex with Myxopyronin B


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 in Complex with Myxopyronin B within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:0.3 occ:1.00 OD1 D:ASP464 2.1 85.4 1.0 OD1 D:ASP460 2.2 86.0 1.0 OD2 D:ASP462 2.3 86.0 1.0 CG D:ASP464 2.9 85.0 1.0 CG D:ASP460 2.9 86.5 1.0 OD2 D:ASP460 3.1 87.2 1.0 OD2 D:ASP464 3.2 85.1 1.0 CG D:ASP462 3.3 86.4 1.0 OD1 D:ASP462 3.6 87.1 1.0 CB D:ASP464 4.3 84.5 1.0 CB D:ASP460 4.4 86.6 1.0 N D:ASP464 4.6 84.3 1.0 N D:ASP462 4.6 85.4 1.0 N D:ASP460 4.6 86.0 1.0 CB D:ASP462 4.7 86.2 1.0 NH2 D:ARG425 4.7 86.4 1.0 C D:ASP462 4.8 85.2 1.0 CA D:ASP464 4.8 84.2 1.0 O D:ASP462 4.9 85.6 1.0 CA D:ASP462 4.9 85.6 1.0 CA D:ASP460 4.9 86.1 1.0 C D:ASP460 5.0 85.4 1.0

Magnesium binding site 2 out of 2 in the Escherichia Coli Rna Polymerase in Complex with Myxopyronin B


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 in Complex with Myxopyronin B within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg2001 b:0.8 occ:1.00 OD2 J:ASP462 1.8 0.7 1.0 OD1 J:ASP460 2.0 0.3 1.0 CG J:ASP460 2.2 0.0 1.0 CG J:ASP462 2.3 0.0 1.0 OD1 J:ASP462 2.3 1.0 1.0 OD1 J:ASP464 2.6 0.6 1.0 OD2 J:ASP460 2.8 0.5 1.0 OD2 J:ASP464 2.8 0.9 1.0 CB J:ASP460 3.0 0.7 1.0 CG J:ASP464 3.0 0.1 1.0 CB J:ASP462 3.7 0.7 1.0 CA J:ASP460 4.1 0.0 1.0 N J:ASP462 4.1 0.1 1.0 N J:ASP460 4.2 0.5 1.0 CA J:ASP462 4.4 0.8 1.0 CB J:ASP464 4.5 0.8 1.0 C J:ASP462 4.6 0.9 1.0 C J:ASP460 4.6 0.9 1.0 O J:ASP462 4.7 0.4 1.0 N J:PHE461 4.8 0.3 1.0 NH2 J:ARG425 4.8 0.8 1.0 N J:ASP464 4.9 0.9 1.0 N J:GLY463 5.0 0.9 1.0

V.Molodtsov, P.R.Fleming, C.J.Eyermann, A.D.Ferguson, M.A.Foulk, D.C.Mckinney, C.E.Masse, E.T.Buurman, K.S.Murakami. X-Ray Crystal Structures of Escherichia Coli Rna Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with An Improved Fraction Unbound to Human Plasma Protein To Be Published.