Bromine in PDB 5u83: Crystal Structure of A Merb-Trimethytin Complex.

All present enzymatic activity of Crystal Structure of A Merb-Trimethytin Complex.:
4.99.1.2;

The structure of Crystal Structure of A Merb-Trimethytin Complex., PDB code: 5u83 was solved by H.M.Wahba, M.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.59 / 1.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.540, 89.072, 54.526, 90.00, 98.65, 90.00
R / Rfree (%)	15.9 / 20.1

The structure of Crystal Structure of A Merb-Trimethytin Complex. also contains other interesting chemical elements:

Tin

(Sn)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of A Merb-Trimethytin Complex. (pdb code 5u83). 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 A Merb-Trimethytin Complex., PDB code: 5u83:

Bromine binding site 1 out of 1 in the Crystal Structure of A Merb-Trimethytin Complex.


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 A Merb-Trimethytin Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:38.3 occ:0.49 HB3 B:LYS2 2.8 56.6 1.0 HD3 B:PRO5 2.9 24.1 1.0 HB3 B:ALA4 3.2 21.9 1.0 HD3 B:LYS2 3.3 66.3 1.0 O B:HOH557 3.4 38.4 1.0 CB B:LYS2 3.6 47.2 1.0 HB2 B:LYS2 3.6 56.6 1.0 CD B:PRO5 3.7 20.1 1.0 HG3 B:PRO5 3.7 24.9 1.0 CD B:LYS2 4.0 55.3 1.0 HD2 B:LYS2 4.0 66.3 1.0 CG B:PRO5 4.1 20.7 1.0 HD2 B:PRO5 4.1 24.1 1.0 CB B:ALA4 4.1 18.2 1.0 H B:ALA4 4.2 23.8 1.0 HG2 B:PRO5 4.2 24.9 1.0 HB2 B:ALA4 4.3 21.9 1.0 CG B:LYS2 4.3 51.1 1.0 HB1 B:ALA4 4.6 21.9 1.0 HG2 B:LYS2 4.6 61.3 1.0 CA B:LYS2 4.7 41.6 1.0 N B:ALA4 4.7 19.8 1.0 O B:LYS2 4.8 40.1 1.0 C B:LYS2 4.8 41.8 1.0 N B:PRO5 4.8 15.5 1.0 HA B:LYS2 4.9 49.9 1.0 CA B:ALA4 4.9 16.9 1.0

H.M.Wahba, M.J.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski. Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase Merb Provide New Insights Into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc. V. 139 910 2017.
ISSN: ESSN 1520-5126
PubMed: 27989130
DOI: 10.1021/JACS.6B11327