Chlorine in PDB 8cri: Crystal Structure of LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes)

All present enzymatic activity of Crystal Structure of LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes):
6.3.1.20;

The structure of Crystal Structure of LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes), PDB code: 8cri was solved by J.-N.Dienemann, S.-Y.Chen, M.Hitzenberger, M.L.Sievert, S.M.Hacker, S.T.Prigge, M.Zacharias, M.Groll, S.A.Sieber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.87, 72.79, 93.05, 90, 98.04, 90
R / Rfree (%)	22.3 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes) (pdb code 8cri). 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 LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes), PDB code: 8cri:

Chlorine binding site 1 out of 1 in the Crystal Structure of LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes)


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 LPLA1 in Complex with Lipoic Acid (Listeria Monocytogenes) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:93.7 occ:1.00 N A:ASP190 3.2 57.0 1.0 N A:GLN191 3.5 61.9 1.0 CA A:MET189 3.7 51.3 1.0 CB A:MET189 3.8 50.3 1.0 C A:MET189 3.8 53.6 1.0 O A:LEU113 3.9 46.8 1.0 CB A:GLN191 4.1 63.4 1.0 CA A:ASP190 4.1 59.8 1.0 CB A:ASP190 4.3 61.5 1.0 CE A:MET189 4.3 51.0 1.0 C A:ASP190 4.3 60.4 1.0 CG A:MET189 4.4 50.3 1.0 CA A:GLN191 4.4 62.2 1.0 O A:GLN191 4.8 63.9 1.0 CG A:ASP190 4.9 63.4 1.0 OD1 A:ASP190 5.0 65.1 1.0 O A:MET189 5.0 53.3 1.0

J.N.Dienemann, S.Y.Chen, M.Hitzenberger, M.L.Sievert, S.M.Hacker, S.T.Prigge, M.Zacharias, M.Groll, S.A.Sieber. A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl. 04533 2023.
ISSN: ESSN 1521-3773
PubMed: 37249408
DOI: 10.1002/ANIE.202304533