Chlorine in PDB 3q7a: Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpp and L-778,123

The structure of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpp and L-778,123, PDB code: 3q7a 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)	48.14 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	142.713, 142.713, 130.439, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.3

The structure of Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpp and L-778,123 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 Fpp and L-778,123 (pdb code 3q7a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpp and L-778,123, PDB code: 3q7a:

Chlorine binding site 1 out of 1 in the Cryptococcus Neoformans Protein Farnesyltransferase in Complex with Fpp and L-778,123


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 Fpp and L-778,123 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3012 b:30.3 occ:1.00 CL31 B:7783012 0.0 30.3 1.0 C26 B:7783012 1.7 26.9 1.0 C20 B:7783012 2.7 25.7 1.0 C30 B:7783012 2.7 26.3 1.0 C14 B:FPP3011 3.5 18.0 1.0 O B:HOH2095 3.6 18.1 1.0 CZ2 B:TRP90 3.9 16.6 1.0 CH2 B:TRP90 3.9 16.3 1.0 CE2 B:TRP90 4.0 16.6 1.0 CZ3 B:TRP90 4.0 16.3 1.0 C14 B:7783012 4.0 24.7 1.0 C27 B:7783012 4.0 25.6 1.0 CD2 B:TRP90 4.0 16.6 1.0 CE3 B:TRP90 4.0 16.0 1.0 CZ2 B:TRP94 4.2 15.2 1.0 N36 B:7783012 4.2 20.3 1.0 C13 B:FPP3011 4.2 18.8 1.0 CE1 B:TYR409 4.5 15.6 1.0 C21 B:7783012 4.5 25.2 1.0 C35 B:7783012 4.5 19.3 1.0 NE1 B:TRP90 4.6 17.4 1.0 CD1 B:TYR409 4.7 16.0 1.0 C11 B:FPP3011 4.7 20.1 1.0 C12 B:FPP3011 4.7 19.1 1.0 CZ2 B:TRP329 4.7 14.1 1.0 CG B:TRP90 4.7 16.7 1.0 NE1 B:TRP94 4.8 14.3 1.0 CE2 B:TRP94 4.9 15.2 1.0 C33 B:7783012 4.9 17.9 1.0 CH2 B:TRP329 5.0 13.7 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