Chlorine in PDB 6wii: Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex

All present enzymatic activity of Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex:
3.6.1.54;

The structure of Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex, PDB code: 6wii was solved by C.S.Cochrane, J.Cho, B.A.Fenton, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.77 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.710, 105.710, 53.650, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 18.7

The structure of Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Manganese	(Mn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex (pdb code 6wii). 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 the K. Pneumoniae Lpxh/Jh-Lph-41 Complex, PDB code: 6wii:

Chlorine binding site 1 out of 1 in the Crystal Structure of the K. Pneumoniae Lpxh/Jh-Lph-41 Complex


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 the K. Pneumoniae Lpxh/Jh-Lph-41 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:38.2 occ:1.00 CL34 A:U2V301 0.0 38.2 1.0 C33 A:U2V301 1.8 32.7 1.0 C01 A:U2V301 2.7 25.4 1.0 C32 A:U2V301 2.8 27.4 1.0 CA A:GLN138 3.6 29.4 1.0 CG A:GLN138 3.8 33.9 1.0 O A:VAL132 3.8 34.2 1.0 N A:GLN138 3.9 29.9 1.0 CB A:PHE141 3.9 27.3 1.0 C02 A:U2V301 4.0 25.8 1.0 O A:ILE137 4.0 29.0 1.0 C31 A:U2V301 4.1 32.6 1.0 CG2 A:ILE137 4.1 40.4 1.0 CE2 A:PHE82 4.1 25.0 1.0 CB A:GLN138 4.1 27.0 1.0 C A:ILE137 4.2 34.5 1.0 CA A:VAL132 4.2 31.3 1.0 CB A:VAL132 4.2 31.1 1.0 CG A:PHE141 4.3 27.0 1.0 CG1 A:VAL132 4.4 35.2 1.0 CD2 A:LEU83 4.4 29.9 1.0 C A:VAL132 4.4 31.5 1.0 C30 A:U2V301 4.5 30.4 1.0 CD2 A:PHE141 4.6 28.2 1.0 CZ A:PHE82 4.7 23.4 1.0 C A:GLN138 4.7 32.9 1.0 CD1 A:LEU83 4.8 24.7 1.0 O A:GLN138 4.8 28.5 1.0 CD A:GLN138 5.0 41.2 1.0 CB A:ILE137 5.0 38.9 1.0

S.H.Kwak, C.S.Cochrane, A.F.Ennis, W.Y.Lim, C.G.Webster, J.Cho, B.A.Fenton, P.Zhou, J.Hong. Synthesis and Evaluation of Sulfonyl Piperazine Lpxh Inhibitors. Bioorg.Chem. V. 102 04055 2020.
ISSN: ISSN 0045-2068
PubMed: 32663666
DOI: 10.1016/J.BIOORG.2020.104055