Zinc in PDB 1n94: Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates

The structure of Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates, PDB code: 1n94 was solved by 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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.94 / 3.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	172.106, 172.106, 69.404, 90.00, 90.00, 120.00
R / Rfree (%)	29.5 / 29.6

The binding sites of Zinc atom in the Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates (pdb code 1n94). 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 Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates, PDB code: 1n94:

Zinc binding site 1 out of 1 in the Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2 b:15.0 occ:1.00 OD1 B:ASP297 2.4 50.0 1.0 SG B:CYS299 2.6 28.0 1.0 OD2 B:ASP297 2.8 50.0 1.0 NE2 B:HIS362 2.9 29.1 1.0 CG B:ASP297 2.9 50.0 1.0 CE1 B:HIS362 3.4 29.1 1.0 CB B:CYS299 3.5 28.0 1.0 CD2 B:HIS362 3.7 29.1 1.0 CE2 B:TYR361 3.8 17.9 1.0 OD2 B:ASP352 4.2 59.2 1.0 N B:CYS299 4.3 16.0 1.0 ND1 B:HIS362 4.3 29.1 1.0 CB B:ASP297 4.4 50.0 1.0 CA B:CYS299 4.5 16.0 1.0 CG B:HIS362 4.5 29.1 1.0 CD2 B:TYR361 4.6 17.9 1.0 OH B:TYR361 4.6 17.9 1.0 CZ B:TYR361 4.7 17.9 1.0 CG B:ASP352 4.8 59.2 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