Bromine 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
Magnesium	(Mg)	2 atoms
Zinc	(Zn)	4 atoms

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRH16-Br, PDB code: 4zh3:
Jump to Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br1504 b:0.7 occ:0.50 BRF D:4OD1504 0.0 0.7 0.5 CAQ D:4OD1504 1.8 80.3 1.0 CAL D:4OD1504 2.7 89.4 1.0 CAH D:4OD1504 2.7 82.8 1.0 CD2 C:TYR555 3.5 73.1 1.0 CD C:ARG637 3.6 42.6 1.0 NE C:ARG637 3.9 53.5 1.0 CAS D:4OD1504 4.0 91.2 1.0 CAG D:4OD1504 4.0 83.5 1.0 O C:PRO552 4.1 38.6 1.0 CE2 C:TYR555 4.2 83.8 1.0 CG C:TYR555 4.4 70.0 1.0 CB C:TYR555 4.4 81.1 1.0 CAI D:4OD1504 4.5 84.0 1.0 CA C:PRO552 4.6 43.1 1.0 CB C:PRO552 4.6 53.9 1.0 CE1 D:PHE773 4.7 82.2 1.0 C C:PRO552 4.8 38.2 1.0 CG C:ARG637 4.8 41.6 1.0 CD1 D:PHE773 4.8 64.7 1.0 CB C:ARG637 4.8 51.0 1.0 CZ D:PHE773 4.9 72.1 1.0 CZ C:ARG637 5.0 59.2 1.0 NAN D:4OD1504 5.0 86.0 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br1504 b:1.0 occ:0.50 BRF J:4OD1504 0.0 1.0 0.5 CAQ J:4OD1504 1.8 0.5 1.0 CAL J:4OD1504 2.7 0.5 1.0 CAH J:4OD1504 2.7 0.1 1.0 CD I:ARG637 3.5 37.1 1.0 CD2 I:TYR555 3.5 0.5 1.0 NE I:ARG637 3.8 48.3 1.0 CAS J:4OD1504 4.0 0.6 1.0 CAG J:4OD1504 4.0 0.1 1.0 O I:PRO552 4.1 72.1 1.0 CE2 I:TYR555 4.2 0.8 1.0 CG I:TYR555 4.4 0.5 1.0 CB I:TYR555 4.5 0.3 1.0 CAI J:4OD1504 4.5 0.3 1.0 CA I:PRO552 4.6 60.2 1.0 CB I:PRO552 4.6 65.1 1.0 CG I:ARG637 4.7 83.8 1.0 CB I:ARG637 4.8 77.3 1.0 C I:PRO552 4.8 64.4 1.0 CE1 J:PHE773 4.9 72.7 1.0 CZ I:ARG637 4.9 66.2 1.0 CD1 J:LEU770 5.0 70.3 1.0 CD1 J:PHE773 5.0 79.3 1.0 NAN J:4OD1504 5.0 0.6 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