Zinc in PDB 4gto: Ftase in Complex with Bms Analogue 14

All present enzymatic activity of Ftase in Complex with Bms Analogue 14:
2.5.1.58; 2.5.1.59;

The structure of Ftase in Complex with Bms Analogue 14, PDB code: 4gto was solved by Z.Guo, E.A.Stigter, R.S.Bon, H.Waldmann, W.Blankenfeldt, R.S.Goody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 2.15
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	172.704, 172.704, 69.586, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.5

The structure of Ftase in Complex with Bms Analogue 14 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the Ftase in Complex with Bms Analogue 14 (pdb code 4gto). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Ftase in Complex with Bms Analogue 14, PDB code: 4gto:

Zinc binding site 1 out of 1 in the Ftase in Complex with Bms Analogue 14


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ftase in Complex with Bms Analogue 14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:31.4 occ:1.00 NBC B:7TO502 1.9 45.4 1.0 OD2 B:ASP297 2.1 22.9 1.0 NE2 B:HIS362 2.1 23.0 1.0 SG B:CYS299 2.3 24.1 1.0 OD1 B:ASP297 2.6 31.0 1.0 CG B:ASP297 2.6 26.6 1.0 CAW B:7TO502 2.7 50.1 1.0 CAV B:7TO502 3.0 43.7 1.0 CE1 B:HIS362 3.1 23.1 1.0 CD2 B:HIS362 3.1 24.1 1.0 CB B:CYS299 3.4 23.9 1.0 NBQ B:7TO502 3.9 51.7 1.0 CB B:ASP297 4.1 27.1 1.0 CBL B:7TO502 4.1 46.6 1.0 N B:CYS299 4.1 24.8 1.0 ND1 B:HIS362 4.2 23.9 1.0 CE2 B:TYR361 4.2 23.8 1.0 CG B:HIS362 4.2 24.0 1.0 CA B:CYS299 4.4 24.0 1.0 O B:HOH682 4.4 42.2 1.0 O B:HOH621 4.5 41.0 1.0 CB B:ASP352 4.5 27.7 1.0 CG B:ASP352 4.6 28.5 1.0 OD2 B:ASP352 4.7 31.6 1.0 CD2 B:TYR361 4.8 24.1 1.0 CA B:ASP352 4.9 27.8 1.0 CE1 B:TYR300 5.0 26.9 1.0 O B:HOH799 5.0 49.6 1.0

E.A.Stigter, Z.Guo, R.S.Bon, Y.W.Wu, A.Choidas, A.Wolf, S.Menninger, H.Waldmann, W.Blankenfeldt, R.S.Goody. Development of Selective, Potent Rabggtase Inhibitors J.Med.Chem. V. 55 8330 2012.
ISSN: ISSN 0022-2623
PubMed: 22963166
DOI: 10.1021/JM300624S