Chlorine in PDB 5ec4: Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa

The structure of Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa, PDB code: 5ec4 was solved by C.S.Gajadeera, C.Hou, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.21
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	175.632, 175.632, 122.215, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa (pdb code 5ec4). 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 Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa, PDB code: 5ec4:

Chlorine binding site 1 out of 1 in the Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa


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 Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Inhibitor 13G and Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:46.3 occ:1.00 CL A:5LQ502 0.0 46.3 1.0 C A:5LQ502 1.8 39.8 1.0 C16 A:5LQ502 2.7 39.3 1.0 C1 A:5LQ502 2.8 38.9 1.0 O A:ALA33 3.6 44.4 1.0 CZ3 A:TRP13 3.8 46.9 1.0 CB A:ALA33 3.8 45.5 1.0 CD2 A:PHE84 3.9 38.5 1.0 CG A:PHE84 3.9 36.9 1.0 CE2 A:PHE84 3.9 37.2 1.0 CD1 A:PHE84 3.9 36.7 1.0 CE1 A:PHE84 4.0 37.0 1.0 CZ A:PHE84 4.0 37.5 1.0 C15 A:5LQ502 4.0 39.4 1.0 C2 A:5LQ502 4.1 38.4 1.0 C A:ALA33 4.2 44.8 1.0 CD2 A:LEU63 4.2 37.1 1.0 CH2 A:TRP13 4.3 46.5 1.0 CA A:ALA33 4.4 44.1 1.0 CB A:ARG37 4.4 48.5 1.0 CE1 A:PHE17 4.5 48.8 1.0 C14 A:5LQ502 4.5 38.2 1.0 CB A:PHE84 4.6 35.7 1.0 CG A:ARG37 4.7 54.7 1.0 CE3 A:TRP13 4.8 48.1 1.0 CA A:ARG37 4.9 42.4 1.0 N A:ARG37 4.9 39.2 1.0

M.J.Willby, K.D.Green, C.S.Gajadeera, C.Hou, O.V.Tsodikov, J.E.Posey, S.Garneau-Tsodikova. Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium Tuberculosis. Acs Chem.Biol. V. 11 1639 2016.
ISSN: ESSN 1554-8937
PubMed: 27010218
DOI: 10.1021/ACSCHEMBIO.6B00110