Chlorine in PDB 6wym: Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C

The structure of Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C, PDB code: 6wym was solved by M.R.Macbeth, R.J.Johnson, G.C.Hoops, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	113.12 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.618, 130.618, 48.814, 90, 90, 120
R / Rfree (%)	20.7 / 25

The binding sites of Chlorine atom in the Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C (pdb code 6wym). 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 Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C, PDB code: 6wym:

Chlorine binding site 1 out of 1 in the Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Transition Metal Inhibition and Structural Refinement of the M. Tuberculosis Esterase, RV0045C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:27.5 occ:1.00 O A:HOH694 2.8 43.4 1.0 O A:HOH635 3.0 35.9 1.0 OG A:SER154 3.1 24.0 1.0 N A:GLY90 3.2 17.3 1.0 N A:LEU155 3.4 17.1 1.0 CB A:SER154 3.4 20.9 1.0 CB A:LEU155 3.5 19.9 1.0 CA A:GLY90 3.6 16.8 1.0 CA A:LEU155 4.0 18.2 1.0 O A:HOH554 4.1 22.1 1.0 CD1 A:LEU184 4.2 24.0 1.0 C A:GLY89 4.3 17.2 1.0 C A:SER154 4.3 18.1 1.0 CA A:SER154 4.4 21.1 1.0 CD2 A:LEU184 4.6 26.1 1.0 CA A:GLY89 4.6 15.9 1.0 C A:GLY90 4.6 17.2 1.0 O A:GLY90 4.7 18.5 1.0 CE2 A:PHE255 4.7 34.2 1.0 CG A:LEU155 4.8 20.0 1.0 CD2 A:LEU155 4.9 19.9 1.0

I.E.Bowles, E.H.Pool, B.S.Lancaster, E.K.Lawson, C.P.Savas, Z.J.Kartje, L.Severinac, D.H.Cho, M.R.Macbeth, R.J.Johnson, G.C.Hoops. Transition Metal Cation Inhibition of Mycobacterium Tuberculosis Esterase RV0045C. Protein Sci. 2021.
ISSN: ESSN 1469-896X
PubMed: 33914998
DOI: 10.1002/PRO.4089