Bromine in PDB 3sfy: Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2

The structure of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2, PDB code: 3sfy was solved by M.A.Hast, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.57 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.159, 141.159, 129.635, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.3

The structure of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Bromine atom in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2 (pdb code 3sfy). 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 Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2, PDB code: 3sfy:

Bromine binding site 1 out of 1 in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Ethylenediamine Inhibitor 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br525 b:46.3 occ:0.86 BRAF B:3FY525 0.0 46.3 0.9 CAZ B:3FY525 1.9 43.7 0.9 CAJ B:3FY525 2.9 44.5 0.9 CAK B:3FY525 2.9 45.4 0.9 CB B:ASP407 3.6 28.4 1.0 CG B:ASP407 3.6 29.2 1.0 OD1 B:ASP407 3.7 28.3 1.0 CD1 B:LEU84 3.7 33.7 1.0 CB B:TYR409 3.8 24.1 1.0 OE1 B:GLN408 3.9 41.4 1.0 N B:TYR409 3.9 25.2 1.0 CZ3 B:TRP94 4.0 24.8 1.0 N B:GLN408 4.2 26.5 1.0 CAM B:3FY525 4.2 45.2 0.9 CAN B:3FY525 4.2 45.8 0.9 OD2 B:ASP407 4.3 34.0 1.0 CA B:TYR409 4.6 24.4 1.0 CE3 B:TRP94 4.6 23.8 1.0 CH2 B:TRP94 4.6 25.1 1.0 CA B:ASP407 4.7 28.2 1.0 C B:ASP407 4.7 27.2 1.0 CBA B:3FY525 4.8 46.5 0.9 CA B:GLN408 4.9 26.7 1.0 C B:GLN408 4.9 25.4 1.0 CB B:GLN408 4.9 26.6 1.0 CG B:LEU84 5.0 31.6 1.0 CG B:TYR409 5.0 25.9 1.0

M.A.Hast, C.B.Nichols, S.M.Armstrong, S.M.Kelly, H.W.Hellinga, J.A.Alspaugh, L.S.Beese. Structures of Cryptococcus Neoformans Protein Farnesyltransferase Reveal Strategies For Developing Inhibitors That Target Fungal Pathogens. J.Biol.Chem. V. 286 35149 2011.
ISSN: ISSN 0021-9258
PubMed: 21816822
DOI: 10.1074/JBC.M111.250506