Chlorine in PDB 4otk: A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form

The structure of A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form, PDB code: 4otk was solved by A.Shahine, T.Beddoe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.58 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.270, 86.270, 86.290, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 16.9

The binding sites of Chlorine atom in the A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form (pdb code 4otk). 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 A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form, PDB code: 4otk:

Chlorine binding site 1 out of 1 in the A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:20.3 occ:1.00 O A:HOH570 3.1 30.4 1.0 N A:LEU197 3.3 14.1 1.0 O A:HOH436 3.4 16.2 1.0 N A:LEU199 3.4 20.0 1.0 CA A:CYS195 3.4 14.8 0.7 CA A:CYS195 3.5 14.0 0.3 C A:CYS195 3.6 14.7 1.0 CB A:LEU197 3.6 16.7 1.0 CA A:LEU197 3.7 14.2 1.0 CB A:ARG237 3.8 14.4 1.0 N A:PRO196 3.8 15.0 1.0 CD A:ARG237 3.9 17.8 1.0 CA A:LEU199 3.9 23.1 1.0 N A:ALA198 3.9 16.7 1.0 SG A:CYS195 3.9 17.2 0.3 CG A:LEU197 3.9 16.4 1.0 C A:LEU197 3.9 15.9 1.0 CD A:PRO196 4.0 15.6 1.0 O A:CYS195 4.0 15.2 1.0 CB A:CYS195 4.1 14.3 0.7 CB A:CYS195 4.3 15.1 0.3 C A:PRO196 4.4 15.1 1.0 CG A:ARG237 4.4 14.7 1.0 CD1 A:LEU197 4.4 19.1 1.0 O A:HOH562 4.5 31.0 1.0 N A:GLY200 4.5 20.6 1.0 C A:ALA198 4.5 19.1 1.0 N A:CYS195 4.6 13.4 1.0 SG A:CYS195 4.6 17.6 0.7 C A:LEU199 4.6 25.8 1.0 O A:LEU197 4.6 18.3 1.0 CA A:ALA198 4.7 14.8 1.0 CA A:PRO196 4.7 13.7 1.0 CG A:PRO196 4.7 14.1 1.0 O A:HOH424 4.8 16.7 1.0 CD2 A:LEU199 4.8 20.4 1.0

A.Shahine, A.Prasetyoputri, J.Rossjohn, T.Beddoe. A Structural Characterization of the Isoniazid Mycobacterium Tuberculosis Drug Target, RV2971, in Its Unliganded Form Acta Crystallogr.,Sect.F V. 70 572 2014.
ISSN: ESSN 1744-3091
PubMed: 24817712
DOI: 10.1107/S2053230X14007158