Zinc in PDB 1ld8: Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49

The structure of Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49, PDB code: 1ld8 was solved by J.S.Taylor, K.L.Terry, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.85 / 1.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	178.134, 178.134, 64.461, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.2

The binding sites of Zinc atom in the Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49 (pdb code 1ld8). 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 Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49, PDB code: 1ld8:

Zinc binding site 1 out of 1 in the Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Co-Crystal Structure of Human Farnesyltransferase with Farnesyldiphosphate and Inhibitor Compound 49 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:18.6 occ:1.00 N33 B:U491003 2.0 17.3 1.0 OD2 B:ASP797 2.0 15.2 1.0 NE2 B:HIS862 2.1 15.6 1.0 SG B:CYS799 2.4 14.4 1.0 OD1 B:ASP797 2.5 14.1 1.0 CG B:ASP797 2.6 14.8 1.0 C32 B:U491003 2.9 16.9 1.0 CD2 B:HIS862 3.0 15.7 1.0 C31 B:U491003 3.0 17.5 1.0 CE1 B:HIS862 3.1 15.3 1.0 CB B:CYS799 3.3 13.6 1.0 CE2 B:TYR861 3.7 14.4 1.0 O B:HOH1301 3.9 36.7 1.0 CB B:ASP797 4.0 14.3 1.0 N30 B:U491003 4.1 17.1 1.0 CG B:HIS862 4.1 15.7 1.0 N B:CYS799 4.1 13.7 1.0 ND1 B:HIS862 4.2 15.1 1.0 C26 B:U491003 4.2 19.4 1.0 CA B:CYS799 4.3 13.3 1.0 O B:HOH1263 4.4 14.4 1.0 OH B:TYR861 4.4 15.5 1.0 CB B:ASP852 4.4 17.0 1.0 CD2 B:TYR861 4.5 15.0 1.0 CG B:ASP852 4.5 16.9 1.0 CZ B:TYR861 4.5 15.0 1.0 OD2 B:ASP852 4.7 16.5 1.0 CA B:ASP852 4.8 17.7 1.0

I.M.Bell, S.N.Gallicchio, M.Abrams, L.S.Beese, D.C.Beshore, H.Bhimnathwala, M.J.Bogusky, C.A.Buser, J.C.Culberson, J.Davide, M.Ellis-Hutchings, C.Fernandes, J.B.Gibbs, S.L.Graham, K.A.Hamilton, G.D.Hartman, D.C.Heimbrook, C.F.Homnick, H.E.Huber, J.R.Huff, K.Kassahun, K.S.Koblan, N.E.Kohl, R.B.Lobell, J.J.Lynch Jr., R.Robinson, A.D.Rodrigues, J.S.Taylor, E.S.Walsh, T.M.Williams, C.B.Zartman. 3-Aminopyrrolidinone Farnesyltransferase Inhibitors: Design of Macrocyclic Compounds with Improved Pharmacokinetics and Excellent Cell Potency. J.Med.Chem. V. 45 2388 2002.
ISSN: ISSN 0022-2623
PubMed: 12036349
DOI: 10.1021/JM010531D