Chlorine in PDB 7ngg: Mycobacterium Tuberculosis Transcriptional Regulator Ethr with Bound Inhibitory Compound

The structure of Mycobacterium Tuberculosis Transcriptional Regulator Ethr with Bound Inhibitory Compound, PDB code: 7ngg was solved by C.W.E.Tomlinson, N.J.Tatum, E.Pohl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.91 / 1.17
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	121.814, 121.814, 33.587, 90, 90, 90
R / Rfree (%)	21.1 / 22

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis Transcriptional Regulator Ethr with Bound Inhibitory Compound (pdb code 7ngg). 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 Transcriptional Regulator Ethr with Bound Inhibitory Compound, PDB code: 7ngg:

Chlorine binding site 1 out of 1 in the Mycobacterium Tuberculosis Transcriptional Regulator Ethr with Bound Inhibitory Compound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis Transcriptional Regulator Ethr with Bound Inhibitory Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:14.8 occ:1.00 CL1 C:U9W301 0.0 14.8 1.0 C9 C:U9W301 1.7 13.2 1.0 C10 C:U9W301 2.7 13.7 1.0 C8 C:U9W301 2.7 12.9 1.0 CZ C:PHE184 3.3 19.3 1.0 CA C:GLU180 3.6 11.7 1.0 CE2 C:PHE184 3.6 17.2 1.0 CE2 C:PHE114 3.7 14.7 1.0 CE1 C:PHE184 3.8 21.7 1.0 CZ2 C:TRP138 3.9 14.8 1.0 CH2 C:TRP138 3.9 16.1 1.0 CD2 C:PHE114 3.9 14.7 1.0 C11 C:U9W301 4.0 13.2 1.0 C7 C:U9W301 4.0 12.4 1.0 CB C:GLU180 4.1 12.9 1.0 N C:GLU180 4.1 11.2 1.0 CD2 C:LEU183 4.3 19.2 1.0 O C:ASN179 4.4 12.8 1.0 CG C:GLU180 4.4 15.9 1.0 CD2 C:PHE184 4.4 16.7 1.0 C C:ASN179 4.5 11.8 1.0 C6 C:U9W301 4.5 11.8 1.0 CD1 C:PHE184 4.6 19.2 1.0 O C:GLU180 4.6 13.1 1.0 C C:GLU180 4.6 11.7 1.0 CG C:PHE184 4.9 15.5 1.0 CB C:LEU183 4.9 13.6 1.0 CZ C:PHE114 4.9 15.9 1.0

N.J.Tatum, C.W.E.Tomlinson, R.Frita, R.Bennett, A.R.Baulard, E.Pohl, M.O.Kitching. Systematic Exploration of the Hydrophobic Capacity of the Ethr Binding Site For Lead Compound Optimization To Be Published.