Chlorine in PDB 4c6u: Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5

All present enzymatic activity of Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5:
2.3.1.41;

The structure of Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5, PDB code: 4c6u was solved by J.Schiebel, K.Kapilashrami, A.Fekete, G.R.Bommineni, C.M.Schaefer, M.J.Mueller, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.19 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.582, 77.582, 147.650, 90.00, 90.00, 120.00
R / Rfree (%)	16.385 / 21.639

The structure of Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5 (pdb code 4c6u). 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 Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5, PDB code: 4c6u:

Chlorine binding site 1 out of 1 in the Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of M. Tuberculosis Kasa in Complex with TLM5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1418 b:72.2 occ:1.00 CZ A:ARG79 3.8 96.4 1.0 NH2 A:ARG79 3.9 93.6 1.0 CD2 A:LEU140 4.0 72.5 1.0 NE A:ARG79 4.1 95.5 1.0 NH1 A:ARG79 4.1 99.6 1.0 CD1 A:LEU140 4.2 70.3 1.0 CD A:ARG79 4.6 91.3 1.0 CG A:LEU140 4.7 74.5 1.0

J.Schiebel, K.Kapilashrami, A.Fekete, G.R.Bommineni, C.M.Schaefer, M.J.Mueller, P.J.Tonge, C.Kisker. Structural Basis For the Recognition of Mycolic Acid Precursors By Kasa, A Condensing Enzyme and Drug Target From Mycobacterium Tuberculosis J.Biol.Chem. V. 288 34190 2013.
ISSN: ISSN 0021-9258
PubMed: 24108128
DOI: 10.1074/JBC.M113.511436