Chlorine in PDB 5lwp: Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists

The structure of Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists, PDB code: 5lwp was solved by G.Ouvry, C.Bouix-Peter, F.Ciesielski, L.Chantalat, O.Christin, C.Comino, D.Duvert, C.Feret, C.S.Harris, A.-P.Luzy, B.Musicki, D.Orfila, J.Pascau, V.Parnet, A.Perrin, R.Pierre, C.Raffin, Y.Rival, N.Taquet, E.Thoreau, L.F.Hennequin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.31 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	173.810, 173.810, 68.400, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 25.3

The structure of Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists (pdb code 5lwp). 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 Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists, PDB code: 5lwp:

Chlorine binding site 1 out of 1 in the Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:55.8 occ:1.00 CL1 A:79U601 0.0 55.8 1.0 CAI A:79U601 1.8 48.1 1.0 CAK A:79U601 2.7 41.2 1.0 CAH A:79U601 2.8 44.1 1.0 OAL A:79U601 2.9 43.5 1.0 NAN A:79U601 3.2 42.8 1.0 CAM A:79U601 3.3 41.6 1.0 OG1 A:THR325 3.5 48.5 1.0 CE A:MET358 3.6 35.1 1.0 C A:LEU324 3.7 45.4 1.0 O A:LEU324 3.7 49.7 1.0 N A:THR325 3.7 43.5 1.0 CA A:THR325 3.7 49.4 1.0 CB A:LEU324 3.8 45.5 1.0 CG1 A:ILE328 3.9 31.8 1.0 CAE A:79U601 4.0 44.6 1.0 CAG A:79U601 4.0 41.9 1.0 NAZ A:79U601 4.3 43.6 1.0 CB A:THR325 4.3 48.2 1.0 CAO A:79U601 4.3 43.3 1.0 CD1 A:LEU483 4.4 31.6 1.0 CA A:LEU324 4.4 45.0 1.0 CAF A:79U601 4.5 44.6 1.0 O A:ALA321 4.6 44.5 1.0 CBI A:79U601 4.7 40.1 1.0 CB A:ILE328 4.8 40.1 1.0 CAY A:79U601 4.8 41.5 1.0 CD1 A:ILE328 5.0 34.4 1.0 CBA A:79U601 5.0 41.6 1.0 CG A:LEU324 5.0 49.3 1.0

G.Ouvry, C.Bouix-Peter, F.Ciesielski, L.Chantalat, O.Christin, C.Comino, D.Duvert, C.Feret, C.S.Harris, L.Lamy, A.P.Luzy, B.Musicki, D.Orfila, J.Pascau, V.Parnet, A.Perrin, R.Pierre, G.Polge, C.Raffin, Y.Rival, N.Taquet, E.Thoreau, L.F.Hennequin. Discovery of Phenoxyindazoles and Phenylthioindazoles As Ror Gamma Inverse Agonists. Bioorg.Med.Chem.Lett. V. 26 5802 2016.
ISSN: ESSN 1464-3405
PubMed: 27815118
DOI: 10.1016/J.BMCL.2016.10.023