Chlorine in PDB 6b5e: Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose

All present enzymatic activity of Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose:
2.7.7.24;

The structure of Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose, PDB code: 6b5e was solved by H.A.Brown, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.323, 111.264, 290.363, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.8

The structure of Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose also contains other interesting chemical elements:

Magnesium	(Mg)	9 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose (pdb code 6b5e). 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 Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose, PDB code: 6b5e:

Chlorine binding site 1 out of 1 in the Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis Rmla in Complex with Dtdp-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:19.1 occ:1.00 O A:HOH429 3.1 39.6 1.0 O A:HOH433 3.1 11.6 1.0 NZ A:LYS23 3.2 10.7 1.0 N A:GLY11 3.3 14.3 1.0 O A:HOH580 3.5 16.4 1.0 CA A:GLY11 3.6 14.1 1.0 CE A:LYS23 3.6 11.1 1.0 C2' A:DAU301 3.7 13.4 1.0 O1P A:DAU301 3.7 15.3 1.0 O A:HOH565 4.0 24.8 1.0 N A:SER10 4.1 15.3 1.0 P A:DAU301 4.1 16.3 1.0 O A:HOH527 4.1 12.0 1.0 CA A:GLY9 4.2 13.4 1.0 O A:HOH512 4.2 18.8 1.0 O2P A:DAU301 4.3 16.4 1.0 O A:HOH476 4.3 23.5 1.0 C A:GLY9 4.3 14.3 1.0 O5' A:DAU301 4.4 14.9 1.0 C3' A:DAU301 4.4 13.3 1.0 C A:SER10 4.5 15.1 1.0 C A:GLY11 4.7 13.9 1.0 O A:GLY8 4.7 14.5 1.0 C61 A:DAU301 4.8 16.8 1.0 CA A:SER10 4.8 17.8 1.0 N A:THR12 4.9 15.2 1.0 C1' A:DAU301 4.9 14.9 1.0 CD A:LYS23 4.9 10.4 1.0

H.A.Brown, J.B.Thoden, P.A.Tipton, H.M.Holden. The Structure of Glucose-1-Phosphate Thymidylyltransferase From Mycobacterium Tuberculosis Reveals the Location of An Essential Magnesium Ion in the Rmla-Type Enzymes. Protein Sci. V. 27 441 2018.
ISSN: ESSN 1469-896X
PubMed: 29076563
DOI: 10.1002/PRO.3333