Chlorine in PDB 6o0g: M.Tb Mend Bound to Intermediate I and Inhibitor

All present enzymatic activity of M.Tb Mend Bound to Intermediate I and Inhibitor:
2.2.1.9;

The structure of M.Tb Mend Bound to Intermediate I and Inhibitor, PDB code: 6o0g was solved by J.M.Johnston, G.Bashiri, E.M.M.Bulloch, E.M.N.Jirgis, H.Chuang, L.V.Nigon, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.674, 143.452, 172.741, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.1

The structure of M.Tb Mend Bound to Intermediate I and Inhibitor also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the M.Tb Mend Bound to Intermediate I and Inhibitor (pdb code 6o0g). 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 M.Tb Mend Bound to Intermediate I and Inhibitor, PDB code: 6o0g:

Chlorine binding site 1 out of 1 in the M.Tb Mend Bound to Intermediate I and Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M.Tb Mend Bound to Intermediate I and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl606 b:57.1 occ:1.00 NE D:ARG268 3.2 63.9 1.0 NH2 D:ARG268 3.8 63.1 1.0 CZ D:ARG268 4.0 64.2 1.0 CB D:ARG268 4.1 54.3 1.0 CD D:ARG268 4.1 61.8 1.0 CG D:ARG268 4.6 59.1 1.0

G.Bashiri, L.V.Nigon, E.N.M.Jirgis, N.A.T.Ho, T.Stanborough, S.S.Dawes, E.N.Baker, E.M.M.Bulloch, J.M.Johnston. Allosteric Regulation of Menaquinone (Vitamin K2) Biosynthesis in the Human Pathogenmycobacterium Tuberculosis. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 32029475
DOI: 10.1074/JBC.RA119.012158