Chlorine in PDB 8evo: Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216

The structure of Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216, PDB code: 8evo was solved by T.-J.Juan, I.Leung, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.43 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.04, 129.006, 138.355, 90, 90, 90
R / Rfree (%)	24.7 / 28.9

The structure of Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216 also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Chlorine atom in the Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216 (pdb code 8evo). 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 Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216, PDB code: 8evo:

Chlorine binding site 1 out of 1 in the Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitor FG2216 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:114.9 occ:1.00 CL1 B:UN9401 0.0 114.9 1.0 C7 B:UN9401 1.7 108.9 1.0 N8 B:UN9401 2.6 95.7 1.0 C2 B:UN9401 2.7 110.3 1.0 C1 B:UN9401 3.1 113.9 1.0 OD1 B:ASP99 3.4 60.2 1.0 CD2 B:HIS97 3.6 54.6 1.0 NE2 B:HIS97 3.6 55.9 1.0 CZ B:PHE202 3.7 54.0 1.0 NI B:NI402 3.8 61.7 1.0 C9 B:UN9401 3.9 102.5 1.0 C3 B:UN9401 4.0 108.8 1.0 CE2 B:PHE202 4.0 54.1 1.0 N B:VAL100 4.2 55.6 1.0 CG B:ASP99 4.2 60.3 1.0 CA B:ASP99 4.3 56.0 1.0 C6 B:UN9401 4.4 114.2 1.0 CG2 B:VAL100 4.5 57.7 1.0 C10 B:UN9401 4.5 105.2 1.0 CB B:ASP99 4.6 57.9 1.0 CG B:HIS97 4.7 52.9 1.0 CE1 B:HIS97 4.7 54.8 1.0 C B:ASP99 4.8 54.8 1.0 CE1 B:PHE202 4.9 53.8 1.0 O B:HOH502 4.9 60.1 1.0

T.-J.Juan, I.Leung, C.J.Squire. Sulfatase From Mycobacterium Tuberculosis (RV3406) in Complex with Inhibitors Nog and FG2216 To Be Published.