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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 1x81:

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

Zinc (Zn) 1 atom

Chlorine Binding Sites:

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 1x81

Go back to Chlorine Binding Sites List in 1x81
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 1x81

Go back to Chlorine Binding Sites List in 1x81
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

Reference:

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
Page generated: Thu Jul 10 20:24:18 2025

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