Chlorine in PDB 7ss6: Structure of Klebsiella Lpxh in Complex with Jh-Lph-45

All present enzymatic activity of Structure of Klebsiella Lpxh in Complex with Jh-Lph-45:
3.6.1.54;

The structure of Structure of Klebsiella Lpxh in Complex with Jh-Lph-45, PDB code: 7ss6 was solved by J.Cho, C.S.Cochrane, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.28 / 1.74
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.82, 105.82, 53.62, 90, 90, 120
R / Rfree (%)	16.7 / 19.5

The structure of Structure of Klebsiella Lpxh in Complex with Jh-Lph-45 also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Structure of Klebsiella Lpxh in Complex with Jh-Lph-45 (pdb code 7ss6). 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 Structure of Klebsiella Lpxh in Complex with Jh-Lph-45, PDB code: 7ss6:

Chlorine binding site 1 out of 1 in the Structure of Klebsiella Lpxh in Complex with Jh-Lph-45


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Klebsiella Lpxh in Complex with Jh-Lph-45 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:36.1 occ:1.00 CL36 A:BKB303 0.0 36.1 1.0 C35 A:BKB303 1.8 28.5 1.0 C01 A:BKB303 2.7 26.3 1.0 C34 A:BKB303 2.8 29.6 1.0 CA A:GLN138 3.7 32.3 1.0 CB A:PHE141 3.8 27.8 1.0 O A:VAL132 3.9 38.9 1.0 CG A:GLN138 3.9 35.0 1.0 C02 A:BKB303 4.0 26.0 1.0 C33 A:BKB303 4.0 33.1 1.0 CE2 A:PHE82 4.0 32.2 1.0 N A:GLN138 4.0 35.8 1.0 O A:ILE137 4.0 34.8 1.0 CB A:VAL132 4.1 33.5 1.0 CG2 A:ILE137 4.2 38.2 1.0 CA A:VAL132 4.2 36.7 1.0 CG A:PHE141 4.2 26.6 1.0 C A:ILE137 4.2 37.4 1.0 CB A:GLN138 4.3 34.0 1.0 CG1 A:VAL132 4.3 37.6 1.0 CD2 A:LEU83 4.4 30.4 1.0 CZ A:PHE82 4.5 29.3 1.0 C A:VAL132 4.5 42.2 1.0 CD2 A:PHE141 4.5 26.0 1.0 C32 A:BKB303 4.5 31.4 1.0 C A:GLN138 4.8 37.0 1.0 O A:GLN138 4.8 32.3 1.0 CD1 A:LEU83 4.8 24.9 1.0 CD1 A:PHE141 4.9 28.8 1.0

S.H.Kwaka, C.S.Cochrane, J.Cho, P.A.Dome, A.F.Ennis, J.H.Kim, P.Zhou, J.Hong. Development of Lpxh Inhibitors Chelating the Active Site Di-Manganese Metal Cluster of Lpxh Chemmedchem 2023.
ISSN: ESSN 1860-7187