Chlorine in PDB 9dsn: D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase)

All present enzymatic activity of D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase):
2.2.1.9;

The structure of D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase), PDB code: 9dsn was solved by J.M.Johnston, N.A.T.Ho, F.M.Given, T.A.Allison, E.M.M.Bulloch, W.Jiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.217, 139.257, 181.625, 90, 90, 90
R / Rfree (%)	19.2 / 22.8

The structure of D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase) (pdb code 9dsn). 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 D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase), PDB code: 9dsn:

Chlorine binding site 1 out of 1 in the D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of D306A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:44.9 occ:1.00 NE B:ARG331 3.1 55.4 1.0 N B:ARG268 3.2 37.0 1.0 NH2 B:ARG331 3.4 44.8 1.0 CZ3 B:TRP328 3.7 45.1 1.0 CZ B:ARG331 3.7 44.7 1.0 O B:ARG268 3.9 44.1 1.0 CA B:ARG268 4.0 39.4 1.0 CA B:LEU267 4.0 45.5 1.0 C B:LEU267 4.1 45.2 1.0 CB B:ARG268 4.1 50.0 1.0 CD2 B:LEU267 4.1 37.2 1.0 C B:ARG268 4.1 41.2 1.0 CD B:ARG331 4.2 45.3 1.0 CB B:LEU267 4.4 46.3 1.0 CE3 B:TRP328 4.5 37.8 1.0 CH2 B:TRP328 4.6 48.1 1.0 CG B:ARG268 4.7 51.9 1.0 CG B:ARG331 4.8 46.8 1.0 CG B:LEU267 4.9 43.5 1.0 O B:LEU266 5.0 53.5 1.0

N.A.T.Ho, F.M.Given, T.Stanborough, M.Klein, T.M.Allison, E.M.M.Bulloch, W.Jiao, J.M.Johnston. Apparent Reversal of Allosteric Response in Mycobacterium Tuberculosis Mend Reveals Links to Half-of-Sites Reactivity. Chembiochem 00943 2025.
ISSN: ESSN 1439-7633
PubMed: 39945237
DOI: 10.1002/CBIC.202400943