Chlorine in PDB 4pwl: Crystal Structure of the Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen)

The structure of Crystal Structure of the Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen), PDB code: 4pwl was solved by G.Pochetti, R.Montanari, D.Capelli, F.Loiodice, A.Laghezza, A.Lavecchia, L.Piemontese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.99 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.120, 61.740, 118.720, 90.00, 102.31, 90.00
R / Rfree (%)	21.8 / 30.8

The structure of Crystal Structure of the Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen) (pdb code 4pwl). 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 Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen), PDB code: 4pwl:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen)


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 Complex Between Ppargamma-Lbd and the S Enantiomer of Mbx-102 (Metaglidasen) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:96.7 occ:0.95 CL A:MSZ501 0.0 96.7 0.9 C2 A:MSZ501 1.5 98.5 0.9 C5 A:MSZ501 2.5 98.1 0.9 C4 A:MSZ501 2.5 91.3 0.9 CD2 A:PHE287 3.5 97.0 1.0 CE2 A:PHE287 3.8 0.8 1.0 C6 A:MSZ501 3.8 97.1 0.9 C3 A:MSZ501 3.8 91.2 0.9 CG A:PHE287 4.2 99.7 1.0 C7 A:MSZ501 4.3 92.1 0.9 CZ A:PHE287 4.6 0.2 1.0 CB A:PHE287 4.7 89.8 1.0

A.Laghezza, R.Montanari, A.Lavecchia, L.Piemontese, G.Pochetti, V.Iacobazzi, V.Infantino, D.Capelli, M.De Bellis, A.Liantonio, S.Pierno, P.Tortorella, D.Conte Camerino, F.Loiodice. On the Metabolically Active Form of Metaglidasen: Improved Synthesis and Investigation of Its Peculiar Activity on Peroxisome Proliferator-Activated Receptors and Skeletal Muscles. Chemmedchem 2015.
ISSN: ESSN 1860-7187
PubMed: 25641779
DOI: 10.1002/CMDC.201402462