Chlorine in PDB 3sfx: Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib

The structure of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib, PDB code: 3sfx 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)	45.47 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	142.176, 142.176, 130.096, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 19.9

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

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib (pdb code 3sfx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib, PDB code: 3sfx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl526 b:49.1 occ:0.85 CL1 B:JAN526 0.0 49.1 0.8 C9 B:JAN526 1.7 42.6 0.8 C10 B:JAN526 2.7 41.0 0.8 C8 B:JAN526 2.7 39.2 0.8 C10 B:FII525 3.4 42.9 1.0 NH1 B:ARG197 3.4 48.4 1.0 CL2 B:JAN526 3.8 39.1 0.8 C22 B:FII525 3.9 39.1 1.0 CD B:ARG197 4.0 35.4 1.0 C11 B:JAN526 4.0 38.7 0.8 C7 B:JAN526 4.0 36.9 0.8 C11 B:FII525 4.1 40.7 1.0 C12 B:FII525 4.2 38.8 1.0 C24 B:JAN526 4.3 38.3 0.8 C2 B:FII525 4.3 40.9 1.0 C1 B:FII525 4.3 42.0 1.0 C24 B:FII525 4.3 40.7 1.0 C15 B:FII525 4.4 39.9 1.0 CZ B:ARG197 4.5 46.2 1.0 C6 B:JAN526 4.6 36.2 0.8 C25 B:JAN526 4.6 38.8 0.8 O B:HOH2740 4.6 51.0 1.0 NE B:ARG197 4.7 42.8 1.0 C23 B:FII525 4.7 41.2 1.0

Chlorine binding site 2 out of 2 in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpt-II and Tipifarnib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl526 b:39.1 occ:0.85 CL2 B:JAN526 0.0 39.1 0.8 C24 B:JAN526 1.7 38.3 0.8 C23 B:JAN526 2.7 37.2 0.8 C25 B:JAN526 2.7 38.8 0.8 C8 B:JAN526 3.5 39.2 0.8 CE1 B:TYR409 3.5 24.3 1.0 CD1 B:TYR409 3.7 24.0 1.0 CL1 B:JAN526 3.8 49.1 0.8 CZ2 B:TRP94 3.8 22.8 1.0 C9 B:JAN526 3.9 42.6 0.8 C22 B:JAN526 4.0 38.5 0.8 C26 B:JAN526 4.0 39.1 0.8 O B:HOH2095 4.2 20.9 1.0 C1 B:FII525 4.3 42.0 1.0 C7 B:JAN526 4.4 36.9 0.8 C27 B:JAN526 4.4 40.6 0.8 C10 B:FII525 4.5 42.9 1.0 CH2 B:TRP94 4.6 24.1 1.0 CZ B:TYR409 4.6 26.7 1.0 C2 B:FII525 4.7 40.9 1.0 CE2 B:TRP94 4.8 21.1 1.0 CG B:TYR409 4.9 24.8 1.0 CE2 B:TRP90 4.9 29.7 1.0 C10 B:JAN526 4.9 41.0 0.8 CD2 B:TRP90 5.0 27.6 1.0 C12 B:FII525 5.0 38.8 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