Bromine in PDB 1w6j: Structure of Human Osc in Complex with Ro 48-8071

All present enzymatic activity of Structure of Human Osc in Complex with Ro 48-8071:
5.4.99.7;

The structure of Structure of Human Osc in Complex with Ro 48-8071, PDB code: 1w6j was solved by R.Thoma, T.Schulz-Gasch, B.D'arcy, J.Benz, J.Aebi, H.Dehmlow, M.Hennig, A.Ruf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	141.42 / 2.2
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	189.915, 202.424, 62.638, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.9

The structure of Structure of Human Osc in Complex with Ro 48-8071 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Bromine atom in the Structure of Human Osc in Complex with Ro 48-8071 (pdb code 1w6j). 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 Structure of Human Osc in Complex with Ro 48-8071, PDB code: 1w6j:

Bromine binding site 1 out of 1 in the Structure of Human Osc in Complex with Ro 48-8071


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Human Osc in Complex with Ro 48-8071 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1733 b:58.3 occ:1.00 BR23 A:R711733 0.0 58.3 1.0 C11 A:R711733 1.9 54.0 1.0 C12 A:R711733 2.8 53.1 1.0 C10 A:R711733 2.8 54.2 1.0 CD1 A:ILE524 3.4 34.7 1.0 CB A:ILE524 3.7 34.0 1.0 CG2 A:ILE524 3.9 35.1 1.0 CA A:CYS233 3.9 35.6 1.0 CZ2 A:TRP192 3.9 34.8 1.0 CB A:CYS233 4.0 35.8 1.0 C13 A:R711733 4.1 52.4 1.0 C9 A:R711733 4.1 53.9 1.0 CG1 A:ILE524 4.2 33.7 1.0 CH2 A:TRP192 4.3 34.9 1.0 SG A:CYS233 4.4 38.0 1.0 N A:CYS233 4.4 35.5 1.0 CE2 A:TYR237 4.6 33.0 1.0 CZ3 A:TRP230 4.6 33.7 1.0 C8 A:R711733 4.6 52.5 1.0 CD2 A:PHE521 4.7 34.6 1.0 O A:HIS232 4.8 35.7 1.0 CE3 A:TRP230 4.8 32.6 1.0 C A:HIS232 4.8 35.0 1.0

R.Thoma, T.Schulz-Gasch, B.D'arcy, J.Benz, J.Aebi, H.Dehmlow, M.Hennig, M.Stihle, A.Ruf. Insight Into Steroid Scaffold Formation From the Structure of Human Oxidosqualene Cyclase Nature V. 432 118 2004.
ISSN: ISSN 0028-0836
PubMed: 15525992
DOI: 10.1038/NATURE02993