Bromine in PDB 3vwb: Crystal Structure of Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter

The structure of Crystal Structure of Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter, PDB code: 3vwb was solved by X.P.Gao, S.Waltersperger, M.T.Wang, S.Cui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.89 / 2.42
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.321, 163.051, 39.569, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 27.1

The binding sites of Bromine atom in the Crystal Structure of Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter (pdb code 3vwb). 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 Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter, PDB code: 3vwb:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter


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 Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter within 5.0Å range: probe atom residue distance (Å) B Occ C:Br5 b:0.7 occ:1.00 BR C:BRU5 0.0 0.7 1.0 C5 C:BRU5 1.9 91.7 1.0 C6 C:BRU5 2.9 99.7 1.0 C4 C:BRU5 2.9 90.9 1.0 H6 C:BRU5 3.0 0.7 1.0 O4 C:BRU5 3.1 89.3 1.0 H3' C:DC4 3.1 1.0 1.0 H41 C:DC6 3.7 99.3 1.0 C6 C:DC4 3.7 91.2 1.0 H2' C:DC4 3.7 0.5 1.0 H6 C:DC4 3.7 0.4 1.0 C5 C:DC4 3.7 85.9 1.0 H5 C:DC4 3.8 0.0 1.0 C3' C:DC4 3.9 0.6 1.0 N1 C:BRU5 4.1 0.0 1.0 H5 C:DC6 4.1 0.3 1.0 N3 C:BRU5 4.2 97.2 1.0 N1 C:DC4 4.2 0.1 1.0 C2' C:DC4 4.3 0.9 1.0 N4 C:DC6 4.3 82.8 1.0 C4 C:DC4 4.3 87.2 1.0 O3' C:DC4 4.5 0.4 1.0 H5' C:DC4 4.6 0.2 1.0 O5' C:BRU5 4.6 1.0 1.0 C2 C:BRU5 4.6 0.9 1.0 C5 C:DC6 4.7 0.6 1.0 C2 C:DC4 4.7 0.1 1.0 N3 C:DC4 4.8 93.1 1.0 H42 C:DC6 4.8 99.3 1.0 C1' C:DC4 4.8 0.0 1.0 C4 C:DC6 4.8 96.0 1.0 N4 C:DC4 5.0 87.0 1.0 HN3 C:BRU5 5.0 0.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter


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 Virb Core Domain (Se-Met Derivative) Complexed with the Cis-Acting Site (5-Bru Modifications) Upstream Icsb Promoter within 5.0Å range: probe atom residue distance (Å) B Occ C:Br21 b:46.8 occ:1.00 BR C:BRU21 0.0 46.8 1.0 C5 C:BRU21 1.9 48.1 1.0 C4 C:BRU21 2.9 44.6 1.0 C6 C:BRU21 2.9 50.7 1.0 O4 C:BRU21 3.1 37.9 1.0 H6 C:BRU21 3.1 60.9 1.0 H2' C:DA20 3.7 54.0 1.0 C8 C:DA20 3.7 46.2 1.0 H8 C:DA20 3.8 55.4 1.0 N7 C:DA20 3.8 42.9 1.0 H2'' C:DA20 4.0 54.0 1.0 N9 C:DA20 4.1 46.6 1.0 N3 C:BRU21 4.1 47.0 1.0 N1 C:BRU21 4.2 49.6 1.0 C2' C:DA20 4.2 45.0 1.0 C5 C:DA20 4.3 41.9 1.0 C4 C:DA20 4.5 42.5 1.0 H41 C:DC22 4.5 52.5 1.0 C2 C:BRU21 4.6 48.8 1.0 C1' C:DA20 4.7 48.0 1.0 O C:HOH104 4.8 51.2 1.0 N4 C:DC22 4.9 43.7 1.0 HN3 C:BRU21 5.0 56.4 1.0

X.P.Gao, T.T.Zou, Z.X.Mu, B.Qin, J.Yang, S.Waltersperger, M.T.Wang, S.Cui, Q.Jin. Structural Insights Into Virb-Dna Complexes Reveal Mechanism of Transcriptional Activation of Virulence Genes Nucleic Acids Res. V. 41 10529 2013.
ISSN: ISSN 0305-1048
PubMed: 23985969
DOI: 10.1093/NAR/GKT748