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Zinc in PDB 1ni1: Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors

Protein crystallography data

The structure of Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors, PDB code: 1ni1 was solved by Y.Tong, N.H.Lin, L.Wang, L.Hasvold, W.Wang, N.Leonard, T.Li, Q.Li, J.Cohen, W.Z.Gu, H.Zhang, V.Stoll, J.Bauch, K.Marsh, S.H.Rosenberg, H.L.Sham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.85 / 2.30
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 170.096, 170.096, 69.286, 90.00, 90.00, 120.00
R / Rfree (%) 26.4 / 32.7

Other elements in 1ni1:

The structure of Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors (pdb code 1ni1). 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 Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors, PDB code: 1ni1:

Zinc binding site 1 out of 1 in 1ni1

Go back to Zinc Binding Sites List in 1ni1
Zinc binding site 1 out of 1 in the Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Imidazole and Cyanophenyl Farnesyl Transferase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:32.0
occ:1.00
NE2 B:HIS362 2.0 23.2 1.0
OD2 B:ASP297 2.0 33.4 1.0
OD1 B:ASP297 2.3 30.2 1.0
SG B:CYS299 2.4 24.8 1.0
CG B:ASP297 2.4 30.4 1.0
N3 B:2C510 2.6 37.1 1.0
C5 B:2C510 2.7 39.7 1.0
CD2 B:HIS362 2.9 23.1 1.0
CE1 B:HIS362 3.0 21.0 1.0
CB B:CYS299 3.6 21.0 1.0
C10 B:2C510 3.7 35.3 1.0
N4 B:2C510 3.7 40.1 1.0
CB B:ASP297 3.8 26.8 1.0
CE2 B:TYR361 3.9 16.9 1.0
ND1 B:HIS362 4.0 23.1 1.0
CG B:HIS362 4.0 22.5 1.0
N B:CYS299 4.2 24.0 1.0
C12 B:2C510 4.3 36.6 1.0
CA B:CYS299 4.5 24.2 1.0
OH B:TYR361 4.5 21.5 1.0
OD2 B:ASP352 4.6 32.3 1.0
CG B:ASP352 4.6 27.0 1.0
C15 B:2C510 4.7 44.2 1.0
CZ B:TYR361 4.7 19.5 1.0
CD2 B:TYR361 4.7 15.7 1.0
C B:ASP297 4.8 22.7 1.0
CA B:ASP297 4.8 22.9 1.0
OD1 B:ASP352 4.9 28.0 1.0
CE1 B:TYR300 4.9 31.6 1.0
CA B:ASP352 4.9 29.9 1.0
CB B:ASP352 4.9 27.1 1.0

Reference:

Y.Tong, N.H.Lin, L.Wang, L.Hasvold, W.Wang, N.Leonard, T.Li, Q.Li, J.Cohen, W.Z.Gu, H.Zhang, V.Stoll, J.Bauch, K.Marsh, S.H.Rosenberg, H.L.Sham. Discovery of Potent Imidazole and Cyanophenyl Containing Farnesyltransferase Inhibitors with Improved Oral Bioavailability. Bioorg.Med.Chem.Lett. V. 13 1571 2003.
ISSN: ISSN 0960-894X
PubMed: 12699757
DOI: 10.1016/S0960-894X(03)00195-1
Page generated: Wed Dec 16 02:58:30 2020

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