Chlorine in PDB 1x81: Farnesyl Transferase Structure of Jansen Compound

All present enzymatic activity of Farnesyl Transferase Structure of Jansen Compound:
2.5.1.58; 2.5.1.59;

The structure of Farnesyl Transferase Structure of Jansen Compound, PDB code: 1x81 was solved by Q.Li, A.Claiborne, T.Li, L.Hasvold, V.S.Stoll, S.Muchmore, C.G.Jakob, W.Gu, J.Cohen, C.Hutchins, D.Frost, 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)	50.00 / 3.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	170.086, 170.086, 69.133, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 29.2

The structure of Farnesyl Transferase Structure of Jansen Compound also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Farnesyl Transferase Structure of Jansen Compound (pdb code 1x81). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Farnesyl Transferase Structure of Jansen Compound, PDB code: 1x81:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Farnesyl Transferase Structure of Jansen Compound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Farnesyl Transferase Structure of Jansen Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:23.7 occ:1.00 CL1 B:JAN1 0.0 23.7 1.0 C9 B:JAN1 1.7 23.7 1.0 C8 B:JAN1 2.7 23.7 1.0 C10 B:JAN1 2.7 23.7 1.0 C11 B:JAN1 4.0 23.7 1.0 C7 B:JAN1 4.0 23.7 1.0 NE B:ARG202 4.2 62.8 1.0 CL2 B:JAN1 4.5 23.7 1.0 NH2 B:ARG202 4.6 62.8 1.0 CZ B:ARG202 4.6 62.8 1.0 C6 B:JAN1 4.6 23.7 1.0 C24 B:JAN1 4.8 23.7 1.0 CD B:ARG202 4.8 62.8 1.0 C25 B:JAN1 4.9 23.7 1.0

Chlorine binding site 2 out of 2 in the Farnesyl Transferase Structure of Jansen Compound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Farnesyl Transferase Structure of Jansen Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:23.7 occ:1.00 CL2 B:JAN1 0.0 23.7 1.0 C24 B:JAN1 1.7 23.7 1.0 C25 B:JAN1 2.7 23.7 1.0 C23 B:JAN1 2.7 23.7 1.0 CE1 B:TYR361 3.5 8.1 1.0 C8 B:JAN1 3.5 23.7 1.0 CD1 B:TYR361 3.8 8.1 1.0 C22 B:JAN1 4.0 23.7 1.0 C26 B:JAN1 4.0 23.7 1.0 CZ2 B:TRP106 4.1 5.0 1.0 C7 B:JAN1 4.1 23.7 1.0 CZ B:TYR361 4.1 8.1 1.0 C9 B:JAN1 4.4 23.7 1.0 CZ2 B:TRP102 4.5 13.6 1.0 CE2 B:TRP102 4.5 13.6 1.0 OH B:TYR361 4.5 8.1 1.0 CL1 B:JAN1 4.5 23.7 1.0 C27 B:JAN1 4.6 23.7 1.0 CG B:TYR361 4.8 8.1 1.0 NE1 B:TRP102 4.8 13.6 1.0 CH2 B:TRP102 4.9 13.6 1.0 CH2 B:TRP106 4.9 5.0 1.0 CE2 B:TRP106 5.0 5.0 1.0 CD2 B:TRP102 5.0 13.6 1.0 CE2 B:TYR361 5.0 8.1 1.0

Q.Li, A.Claiborne, T.Li, L.Hasvold, V.S.Stoll, S.Muchmore, C.G.Jakob, W.Gu, J.Cohen, C.Hutchins, D.Frost, S.H.Rosenberg, H.L.Sham. Design, Synthesis, and Activity of 4-Quinolone and Pyridone Compounds As Nonthiol-Containing Farnesyltransferase Inhibitors. Bioorg.Med.Chem.Lett. V. 14 5367 2004.
ISSN: ISSN 0960-894X
PubMed: 15454228
DOI: 10.1016/J.BMCL.2004.08.012