Chlorine in PDB 2bed: Structure of Fpt Bound to Inhibitor SCH207736

All present enzymatic activity of Structure of Fpt Bound to Inhibitor SCH207736:
2.5.1.58; 2.5.1.59;

The structure of Structure of Fpt Bound to Inhibitor SCH207736, PDB code: 2bed was solved by C.Strickland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.70
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	174.020, 174.020, 69.730, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 26.2

The structure of Structure of Fpt Bound to Inhibitor SCH207736 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Structure of Fpt Bound to Inhibitor SCH207736 (pdb code 2bed). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Fpt Bound to Inhibitor SCH207736, PDB code: 2bed:

Chlorine binding site 1 out of 1 in the Structure of Fpt Bound to Inhibitor SCH207736


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Fpt Bound to Inhibitor SCH207736 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2001 b:54.5 occ:1.00 CL40 B:7362001 0.0 54.5 1.0 C20 B:7362001 1.7 54.2 1.0 C21 B:7362001 2.7 52.0 1.0 C19 B:7362001 2.7 51.7 1.0 NE2 A:HIS201 2.9 32.0 1.0 CE1 A:HIS201 3.4 34.0 1.0 O A:LYS164 3.4 33.4 1.0 CE1 A:TYR166 3.5 26.8 1.0 C A:LYS164 3.8 29.6 1.0 CD1 A:TYR166 3.9 26.7 1.0 C18 B:7362001 4.1 51.1 1.0 C11 B:7362001 4.1 50.4 1.0 CD2 A:HIS201 4.2 30.1 1.0 CB A:LYS164 4.2 29.5 1.0 CZ A:TYR166 4.2 29.9 1.0 CA A:LYS164 4.3 30.9 1.0 N A:ASN165 4.3 31.3 1.0 OH A:TYR166 4.6 28.7 1.0 C10 B:7362001 4.6 50.7 1.0 CA A:ASN165 4.7 27.4 1.0 C4 B:FPP1001 4.7 38.5 1.0 ND1 A:HIS201 4.7 31.8 1.0 N A:TYR166 4.8 25.2 1.0 C5 B:FPP1001 4.8 35.1 1.0 CG A:TYR166 4.9 29.7 1.0 C3 B:FPP1001 4.9 36.9 1.0

F.G.Njoroge, B.Vibulbhan, P.Pinto, C.Strickland, W.R.Bishop, A.Nomeir, V.Girijavallabhan. Enhanced Ftase Activity Achieved Via Piperazine Interaction with Catalytic Zinc. Bioorg.Med.Chem.Lett. V. 16 984 2006.
ISSN: ISSN 0960-894X
PubMed: 16298128
DOI: 10.1016/J.BMCL.2005.10.090