Magnesium in PDB 4zh3: Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br

All present enzymatic activity of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br:
2.7.7.6;

The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br, PDB code: 4zh3 was solved by Y.Feng, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.75 / 4.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	186.339, 205.790, 307.630, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 26.7

The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Zinc	(Zn)	4 atoms
Bromine	(Br)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br (pdb code 4zh3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br, PDB code: 4zh3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1501 b:37.0 occ:1.00 OD2 D:ASP462 3.0 67.9 1.0 OD1 D:ASP464 3.1 91.8 1.0 OD1 D:ASP462 3.3 63.2 1.0 OD1 D:ASP460 3.4 0.3 1.0 OD2 D:ASP464 3.4 64.6 1.0 CG D:ASP462 3.6 64.1 1.0 CG D:ASP464 3.7 65.5 1.0 CB D:ASP460 4.0 62.5 1.0 CG D:ASP460 4.1 91.3 1.0 NH2 D:ARG425 4.8 82.6 1.0 N D:ASP460 4.8 55.5 1.0 CA D:ASP460 5.0 58.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg1501 b:55.4 occ:1.00 OD1 J:ASP464 3.2 92.8 1.0 OD2 J:ASP462 3.3 59.4 1.0 OD1 J:ASP460 3.3 87.1 1.0 OD1 J:ASP462 3.4 88.7 1.0 OD2 J:ASP464 3.5 59.8 1.0 CG J:ASP462 3.8 79.5 1.0 CG J:ASP464 3.8 70.4 1.0 CB J:ASP460 4.0 98.5 1.0 CG J:ASP460 4.1 0.2 1.0 NH2 J:ARG425 4.7 0.1 1.0 N J:ASP460 4.8 83.4 1.0

Y.Feng, D.Degen, X.Wang, M.Gigliotti, S.Liu, Y.Zhang, D.Das, T.Michalchuk, Y.W.Ebright, M.Talaue, N.Connell, R.H.Ebright. Structural Basis of Transcription Inhibition By Cbr Hydroxamidines and Cbr Pyrazoles. Structure V. 23 1470 2015.
ISSN: ISSN 0969-2126
PubMed: 26190576
DOI: 10.1016/J.STR.2015.06.009