Chlorine in PDB 6d2s: Mycobacterium Tuberculosis Transcriptional Regulator

The structure of Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6d2s was solved by S.Tang, J.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.10 / 1.82
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.999, 81.724, 95.365, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.9

The structure of Mycobacterium Tuberculosis Transcriptional Regulator also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis Transcriptional Regulator (pdb code 6d2s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6d2s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:18.9 occ:1.00 OG1 A:THR316 3.1 16.8 1.0 NE2 A:GLN237 3.2 17.1 1.0 N A:GLY404 3.2 25.4 1.0 N A:GLY313 3.3 16.3 1.0 CA A:GLY404 3.5 24.7 1.0 CB A:VAL312 3.7 18.0 1.0 CA A:VAL312 3.8 15.1 1.0 CB A:THR316 3.8 14.7 1.0 CG A:GLN237 3.9 23.9 1.0 CD A:GLN237 4.0 24.0 1.0 CD1 A:LEU403 4.0 27.9 1.0 C A:VAL312 4.1 15.3 1.0 CG2 A:THR316 4.1 14.3 1.0 C A:GLY404 4.1 25.7 1.0 N A:GLN237 4.1 13.5 1.0 C A:GLY236 4.2 14.2 1.0 CG1 A:VAL312 4.2 13.7 1.0 CA A:GLY313 4.2 13.8 1.0 O A:GLY236 4.3 15.4 1.0 CG A:LEU403 4.3 29.0 1.0 CA A:GLN237 4.4 16.4 1.0 C A:LEU403 4.4 27.2 1.0 N A:TYR405 4.5 25.0 1.0 CB A:GLN237 4.6 17.8 1.0 O A:GLY404 4.7 27.3 1.0 CA A:GLY236 4.7 18.1 1.0 CA A:LEU403 4.7 27.8 1.0

Chlorine binding site 2 out of 2 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:45.3 occ:1.00 NH1 A:ARG218 3.1 20.2 1.0 NH2 A:ARG218 3.3 26.1 1.0 O A:HOH730 3.4 40.3 1.0 OD1 A:ASN279 3.4 26.2 1.0 CZ A:ARG218 3.7 20.9 1.0 CG2 A:ILE275 3.8 26.9 1.0 ND2 A:ASN279 4.0 24.0 1.0 CG A:ASN279 4.1 20.9 1.0 CG2 A:THR244 4.2 17.0 1.0 NE A:ARG218 5.0 18.9 1.0

S.Tang, N.D.Hicks, Y.S.Cheng, A.Silva, S.M.Fortune, J.C.Sacchettini. Structural and Functional Insight Into the Mycobacterium Tuberculosis Protein Prpr Reveals A Novel Type of Transcription Factor. Nucleic Acids Res. V. 47 9934 2019.
ISSN: ESSN 1362-4962
PubMed: 31504787
DOI: 10.1093/NAR/GKZ724