Chlorine in PDB 6enq: Structure of Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337)

The structure of Structure of Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337), PDB code: 6enq was solved by B.Boubia, O.Poupardin, M.Barth, J.Amaudrut, P.Broqua, M.Tallandier, D.Zeyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.880, 60.000, 117.490, 90.00, 102.93, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Structure of Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337) (pdb code 6enq). 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 Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337), PDB code: 6enq:

Chlorine binding site 1 out of 1 in the Structure of Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Ppar Gamma Lbd in Complex with Lanifibranor (IVA337) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:48.2 occ:1.00 CL1 A:BJB501 0.0 48.2 1.0 C7 A:BJB501 1.7 50.6 1.0 C6 A:BJB501 2.7 50.4 1.0 C8 A:BJB501 2.7 51.7 1.0 CA A:GLY284 3.9 67.3 1.0 C4 A:BJB501 4.0 55.9 1.0 C9 A:BJB501 4.0 54.0 1.0 C A:GLY284 4.4 67.2 1.0 C5 A:BJB501 4.5 57.6 1.0 O A:GLY284 4.6 65.8 1.0 N A:CYS285 5.0 67.9 1.0

B.Boubia, O.Poupardin, M.Barth, J.Binet, P.Peralba, L.Mounier, E.Jacquier, E.Gauthier, V.Lepais, M.Chatar, S.Ferry, A.Thourigny, F.Guillier, J.Llacer, J.Amaudrut, P.Dodey, O.Lacombe, P.Masson, C.Montalbetti, G.Wettstein, J.M.Luccarini, C.Legendre, J.L.Junien, P.Broqua. Design, Synthesis, and Evaluation of A Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (Ppar) Alpha / Gamma / Delta Triple Activators: Discovery of Lanifibranor, A New Antifibrotic Clinical Candidate. J. Med. Chem. V. 61 2246 2018.
ISSN: ISSN 1520-4804
PubMed: 29446942
DOI: 10.1021/ACS.JMEDCHEM.7B01285