Bromine in PDB 3f6o: Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566

The structure of Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566, PDB code: 3f6o was solved by A.Dong, X.Xu, H.Zheng, A.M.Edwards, A.Joachimiak, A.Savchenko, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.543, 65.543, 93.024, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.7

The binding sites of Bromine atom in the Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566 (pdb code 3f6o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566, PDB code: 3f6o:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566


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 Arsr Family Transcriptional Regulator, RHA00566 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br119 b:42.1 occ:1.00 N A:ARG70 3.4 26.5 1.0 N A:SER35 3.5 23.2 1.0 N A:VAL34 3.8 20.3 1.0 O A:ARG68 3.9 37.8 1.0 CB A:THR33 3.9 20.9 1.0 CA A:VAL69 3.9 31.6 1.0 CB A:SER35 3.9 25.7 1.0 CB A:VAL34 4.0 22.3 1.0 O A:ARG70 4.1 22.6 1.0 C A:VAL69 4.2 29.3 1.0 CA A:VAL34 4.2 22.0 1.0 OG1 A:THR33 4.3 20.8 1.0 CA A:SER35 4.3 24.4 1.0 C A:VAL34 4.3 22.7 1.0 OG A:SER35 4.4 28.6 1.0 CA A:ARG70 4.4 24.5 1.0 C A:THR33 4.5 20.4 1.0 CG1 A:VAL69 4.5 31.2 1.0 CB A:ARG70 4.6 24.3 1.0 C A:ARG70 4.6 22.7 1.0 CA A:THR33 4.7 20.2 1.0 C A:ARG68 4.8 36.8 1.0 CB A:VAL69 4.8 31.8 1.0 CG2 A:THR33 4.8 22.5 1.0 CG1 A:VAL34 4.8 24.6 1.0 N A:VAL69 4.8 34.8 1.0 CG2 A:VAL34 4.9 22.7 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566


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 Arsr Family Transcriptional Regulator, RHA00566 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:43.8 occ:1.00 O B:HOH120 3.3 35.6 1.0 ND2 A:ASN9 3.3 20.5 1.0 CG B:PRO18 3.8 19.2 1.0 CG A:PRO5 3.8 24.4 1.0 CB A:PRO5 3.8 22.8 1.0 N A:GLU6 4.0 24.2 1.0 CB B:PRO18 4.2 20.1 1.0 CA A:GLU6 4.2 25.7 1.0 C A:PRO5 4.3 23.6 1.0 CG A:ASN9 4.4 20.8 1.0 OE2 A:GLU6 4.4 23.8 1.0 CB A:GLU6 4.4 26.0 1.0 OD1 A:ASN9 4.6 19.1 1.0 CD B:PRO18 4.7 19.4 1.0 CA A:PRO5 4.7 23.0 1.0 O A:PRO5 4.8 21.9 1.0 O B:HOH155 4.9 36.7 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br119 b:38.6 occ:1.00 OG B:SER35 3.1 28.7 1.0 N B:ARG70 3.5 22.2 1.0 N B:SER35 3.5 24.0 1.0 O B:HOH123 3.5 42.9 1.0 CB B:THR33 3.8 23.6 1.0 N B:VAL34 3.9 23.4 1.0 O B:ARG70 3.9 21.2 1.0 CA B:VAL69 3.9 22.8 1.0 CB B:SER35 3.9 25.8 1.0 CB B:VAL34 4.0 22.9 1.0 C B:VAL69 4.2 23.0 1.0 OG1 B:THR33 4.3 23.9 1.0 O B:ARG68 4.3 24.8 1.0 CA B:VAL34 4.3 23.3 1.0 CG1 B:VAL69 4.3 22.7 1.0 CA B:SER35 4.3 24.8 1.0 C B:VAL34 4.4 23.3 1.0 CA B:ARG70 4.4 20.9 1.0 CB B:VAL69 4.5 22.6 1.0 C B:ARG70 4.5 20.5 1.0 C B:THR33 4.5 23.7 1.0 O B:HOH127 4.6 25.5 1.0 CA B:THR33 4.6 23.4 1.0 CB B:ARG70 4.7 20.6 1.0 CG2 B:THR33 4.7 24.9 1.0 CG2 B:VAL69 4.7 23.2 1.0 CG2 B:VAL34 4.8 21.7 1.0 CG1 B:VAL34 4.9 24.2 1.0 N B:VAL69 5.0 22.9 1.0

A.Dong, X.Xu, H.Zheng, A.M.Edwards, A.Joachimiak, A.Savchenko. Crystal Structure of Arsr Family Transcriptional Regulator, RHA00566 To Be Published.