Bromine in PDB 2hek: Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution.

The structure of Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution., PDB code: 2hek was solved by V.Oganesyan, J.Jancarik, P.D.Adams, R.Kim, S.H.Kim, Berkeley Structuralgenomics Center (Bsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	107.687, 144.413, 144.677, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22

The structure of Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Zinc	(Zn)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. (pdb code 2hek). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution., PDB code: 2hek:

Bromine binding site 1 out of 1 in the Crystal Structure of O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution.


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 O67745, A Hypothetical Protein From Aquifex Aeolicus at 2.0 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br603 b:40.5 occ:0.50 OH B:TYR59 2.9 30.7 1.0 OE2 B:GLU75 3.0 41.0 1.0 N B:GLY19 3.2 31.6 1.0 N B:GLY16 3.5 32.0 1.0 CA B:GLY16 3.5 33.3 1.0 C B:GLY16 3.6 33.1 1.0 OE1 B:GLU75 3.7 44.7 1.0 CD B:GLU75 3.7 40.6 1.0 O B:GLY16 3.7 31.9 1.0 O B:HOH692 3.9 53.5 1.0 CZ B:TYR59 3.9 28.8 1.0 CA B:GLY19 3.9 28.6 1.0 O B:HOH698 3.9 54.8 1.0 CE2 B:TYR59 4.0 28.5 1.0 N B:ALA18 4.1 31.8 1.0 N B:GLU17 4.2 32.3 1.0 C B:ALA18 4.2 31.1 1.0 CB B:ALA18 4.3 31.4 1.0 CA B:ALA18 4.4 32.4 1.0 CD2 B:LEU79 4.5 29.2 1.0 CG1 B:VAL15 4.7 34.0 1.0 C B:VAL15 4.7 31.6 1.0 NZ B:LYS78 4.7 40.3 1.0 C B:GLU17 4.8 30.6 1.0

V.Oganesyan, P.D.Adams, J.Jancarik, R.Kim, S.H.Kim. Structure of O67745_AQUAE, A Hypothetical Protein From Aquifex Aeolicus. Acta Crystallogr.,Sect.F V. 63 369 2007.
ISSN: ESSN 1744-3091
PubMed: 17565173
DOI: 10.1107/S1744309107018945