Zinc in PDB 1n95: Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives

The structure of Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives, PDB code: 1n95 was solved by S.L.Gwaltney Ii, S.J.O'conner, L.T.Nelson, G.M.Sullivan, H.Imade, W.Wang, L.Hasvold, Q.Li, J.Cohen, W.Z.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.59 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	171.126, 171.126, 69.404, 90.00, 90.00, 120.00
R / Rfree (%)	33.7 / 35.8

The binding sites of Zinc atom in the Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives (pdb code 1n95). 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 Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives, PDB code: 1n95:

Zinc binding site 1 out of 1 in the Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:30.0 occ:1.00 OD2 B:ASP297 2.0 37.0 1.0 NE2 B:HIS362 2.1 24.9 1.0 SG B:CYS299 2.3 14.5 1.0 OD1 B:ASP297 2.4 37.0 1.0 CG B:ASP297 2.5 37.0 1.0 N4 B:FTH1001 2.7 30.0 1.0 CD2 B:HIS362 2.9 24.9 1.0 CE1 B:HIS362 3.2 24.9 1.0 CB B:CYS299 3.3 14.5 1.0 C3 B:FTH1001 3.6 30.0 1.0 C5 B:FTH1001 3.6 30.0 1.0 CE2 B:TYR361 3.8 24.5 1.0 N B:CYS299 3.9 32.4 1.0 CB B:ASP297 4.0 37.0 1.0 CG B:HIS362 4.1 24.9 1.0 ND1 B:HIS362 4.2 24.9 1.0 CA B:CYS299 4.2 32.4 1.0 OD2 B:ASP352 4.4 33.0 1.0 CG B:ASP352 4.5 33.0 1.0 CB B:ASP352 4.5 33.0 1.0 OH B:TYR361 4.5 24.5 1.0 CD2 B:TYR361 4.7 24.5 1.0 CZ B:TYR361 4.7 24.5 1.0 CA B:ASP352 4.7 45.7 1.0 N2 B:FTH1001 4.8 30.0 1.0 C B:ASP297 4.8 26.5 1.0 C6 B:FTH1001 4.8 30.0 1.0 CA B:ASP297 4.9 26.5 1.0 N B:GLY298 4.9 13.9 1.0 CE1 B:TYR300 4.9 39.3 1.0

S.L.Gwaltney Ii, S.J.O'connor, L.T.Nelson, G.M.Sullivan, H.Imade, W.Wang, L.Hasvold, Q.Li, J.Cohen, W.Z.Gu, S.K.Tahir, J.Bauch, K.Marsh, S.C.Ng, D.J.Frost, H.Zhang, S.Muchmore, C.G.Jakob, V.Stoll, C.Hutchins, S.H.Rosenberg, H.L.Sham. Aryl Tetrahydropyridine Inhibitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivatives. Bioorg.Med.Chem.Lett. V. 13 1359 2003.
ISSN: ISSN 0960-894X
PubMed: 12657282
DOI: 10.1016/S0960-894X(03)00095-7