Bromine in PDB 3o7o: Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima

The structure of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima, PDB code: 3o7o was solved by G.J.Forse, N.Ram, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.18 / 2.41
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	114.028, 114.028, 98.818, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.6

The binding sites of Bromine atom in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima (pdb code 3o7o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima, PDB code: 3o7o:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Br265 b:42.4 occ:0.65 N A:THR169 3.3 39.2 1.0 CB A:CYS188 3.6 38.3 1.0 SG A:CYS188 3.7 44.1 1.0 N A:CYS188 3.7 39.1 1.0 O A:THR169 3.7 38.7 1.0 CD1 A:LEU186 3.8 33.6 1.0 CB A:LYS187 4.0 41.0 1.0 CB A:THR169 4.0 45.0 1.0 CA A:GLY168 4.1 41.7 1.0 CA A:THR169 4.1 38.9 1.0 N A:LYS187 4.1 36.1 1.0 C A:GLY168 4.2 43.0 1.0 CA A:CYS188 4.3 38.2 1.0 OG1 A:THR169 4.3 44.9 1.0 C A:LYS187 4.4 43.8 1.0 CA A:LYS187 4.4 37.6 1.0 C A:THR169 4.4 40.2 1.0 CG A:LEU186 4.6 34.7 1.0

Bromine binding site 2 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Br266 b:53.6 occ:0.21 C A:HIS106 3.7 45.9 1.0 CA A:HIS106 3.7 40.0 1.0 N A:GLU107 3.8 42.7 1.0 O A:GLN242 3.8 42.3 1.0 N A:HIS106 3.8 40.1 1.0 ND1 A:HIS105 3.9 49.8 1.0 O A:HIS106 4.2 46.4 1.0 C A:HIS105 4.2 42.3 1.0 C A:GLN242 4.3 41.8 1.0 CA A:PHE243 4.4 33.5 1.0 O A:HIS105 4.5 39.7 1.0 N A:PHE243 4.6 35.8 1.0 CA A:GLU107 4.6 43.8 1.0 CB A:HIS105 4.6 42.2 1.0 CG A:HIS105 4.8 46.7 1.0 CE1 A:HIS105 5.0 49.3 1.0

Bromine binding site 3 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Br267 b:0.6 occ:0.71 O A:HOH286 3.2 44.0 1.0 O A:HOH273 3.9 32.3 1.0 CA A:PHE197 4.5 27.7 1.0 CG2 A:VAL160 4.6 38.2 1.0 O A:LYS196 4.6 33.8 1.0 O A:PRO158 4.7 36.2 1.0 CA A:PHE159 4.7 31.8 1.0 N A:ASP198 4.7 29.6 1.0 NE2 A:HIS201 4.8 35.6 1.0 C A:PHE197 4.9 32.4 1.0 CG A:PRO158 4.9 43.4 1.0 C A:PRO158 4.9 37.9 1.0 N A:PHE159 4.9 33.3 1.0 CB A:PRO158 5.0 38.4 1.0

Bromine binding site 4 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Br265 b:48.0 occ:0.56 N B:THR169 3.2 40.4 1.0 O B:THR169 3.6 42.0 1.0 SG B:CYS188 3.7 53.3 1.0 CB B:CYS188 3.7 46.0 1.0 N B:CYS188 3.8 41.9 1.0 CD1 B:LEU186 3.8 35.8 1.0 CA B:GLY168 3.9 43.6 1.0 CA B:THR169 4.0 40.8 1.0 CB B:THR169 4.0 49.8 1.0 C B:GLY168 4.0 44.3 1.0 CB B:LYS187 4.1 43.4 1.0 N B:LYS187 4.2 38.0 1.0 C B:THR169 4.2 43.3 1.0 OG1 B:THR169 4.3 49.0 1.0 CA B:CYS188 4.4 43.0 1.0 CA B:LYS187 4.5 39.2 1.0 CG B:LEU186 4.5 36.3 1.0 C B:LYS187 4.5 43.6 1.0 O B:GLU167 4.9 55.5 1.0 CG B:LYS187 4.9 63.2 1.0

Bromine binding site 5 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Br266 b:65.9 occ:0.36 ND1 B:HIS105 3.3 43.7 1.0 CA B:HIS106 3.7 30.7 1.0 N B:HIS106 3.7 32.2 1.0 C B:HIS106 3.8 34.5 1.0 O B:GLN242 3.9 35.6 1.0 C B:HIS105 3.9 36.9 1.0 N B:GLU107 4.0 31.4 1.0 CA B:PHE243 4.0 28.6 1.0 O B:HIS105 4.2 34.9 1.0 C B:GLN242 4.2 35.2 1.0 CG B:HIS105 4.2 41.7 1.0 CB B:HIS105 4.2 37.5 1.0 CE1 B:HIS105 4.2 42.9 1.0 N B:PHE243 4.2 29.6 1.0 O B:HIS106 4.3 35.0 1.0 CA B:HIS105 4.7 35.2 1.0 C B:PHE243 4.7 34.0 1.0 CB B:GLN242 4.9 34.7 1.0 CA B:GLU107 4.9 31.6 1.0

Bromine binding site 6 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Br267 b:44.1 occ:0.23 O B:HOH314 2.9 45.0 1.0 CB B:SER97 3.2 45.2 1.0 C B:PHE197 3.5 43.4 1.0 N B:ASP198 3.7 41.4 1.0 O B:PHE197 3.7 41.7 1.0 CA B:PHE197 3.9 38.6 1.0 CB B:ASP198 4.0 43.3 1.0 N B:PHE197 4.1 38.5 1.0 CA B:ASP198 4.1 40.2 1.0 CG B:LYS196 4.2 46.8 1.0 CA B:SER97 4.2 40.7 1.0 OG B:SER97 4.3 60.7 1.0 CE B:LYS196 4.3 77.0 1.0 CD B:LYS196 4.3 58.7 1.0 C B:LYS196 4.6 42.7 1.0 O B:LYS196 4.9 43.3 1.0

Bromine binding site 7 out of 7 in the Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Use of Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Br268 b:99.0 occ:1.00 N B:THR6 3.5 33.5 1.0 CG B:LYS7 3.7 41.2 1.0 CA B:MET5 3.7 37.8 1.0 N B:LYS7 4.0 32.8 1.0 C B:MET5 4.1 37.7 1.0 CB B:MET5 4.2 39.0 1.0 CE B:MET5 4.3 45.6 1.0 OG1 B:THR6 4.3 39.0 1.0 O B:LYS7 4.3 34.0 1.0 O B:LEU4 4.3 45.2 1.0 CE B:LYS7 4.4 70.2 1.0 CD B:LYS7 4.5 49.8 1.0 CA B:THR6 4.5 32.9 1.0 CG B:MET5 4.6 43.4 1.0 CB B:LYS7 4.7 36.0 1.0 C B:THR6 4.7 36.7 1.0 CA B:LYS7 4.7 33.2 1.0 N B:MET5 4.9 39.5 1.0 C B:LYS7 4.9 36.1 1.0

G.J.Forse, N.Ram, D.R.Banatao, D.Cascio, M.R.Sawaya, H.E.Klock, S.A.Lesley, T.O.Yeates. Synthetic Symmetrization in the Crystallization and Structure Determination of Cela From Thermotoga Maritima. Protein Sci. V. 20 168 2011.
ISSN: ISSN 0961-8368
PubMed: 21082721
DOI: 10.1002/PRO.550