Chlorine in PDB 7sqa: Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif

The structure of Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif, PDB code: 7sqa was solved by R.L.Frkic, J.L.Pederick, J.B.Bruning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.143, 59.7, 92.938, 90, 105.99, 90
R / Rfree (%)	23.4 / 28.6

The binding sites of Chlorine atom in the Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif (pdb code 7sqa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif, PDB code: 7sqa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:65.5 occ:1.00 CL40 A:A8R501 0.0 65.5 1.0 C16 A:A8R501 1.8 68.7 1.0 C15 A:A8R501 2.7 68.5 1.0 C17 A:A8R501 2.8 71.1 1.0 O19 A:A8R501 3.1 73.4 1.0 CE A:MET348 3.5 50.4 1.0 C39 A:A8R501 3.6 75.9 1.0 CG2 A:ILE281 3.6 48.0 1.0 CD1 A:PHE264 3.7 98.8 1.0 O A:ILE281 3.8 75.1 1.0 CE1 A:PHE264 3.8 96.1 1.0 C20 A:A8R501 3.9 73.7 1.0 CG A:PHE264 4.0 102.0 1.0 C14 A:A8R501 4.0 67.4 1.0 C18 A:A8R501 4.1 70.6 1.0 CZ A:PHE264 4.2 96.2 1.0 CA A:ILE281 4.2 66.7 1.0 CB A:ILE281 4.4 56.7 1.0 SG A:CYS285 4.4 61.6 1.0 CD2 A:PHE264 4.4 100.6 1.0 C A:ILE281 4.4 72.8 1.0 CE2 A:PHE264 4.5 97.9 1.0 C13 A:A8R501 4.6 69.0 1.0 CG1 A:ILE281 4.6 56.2 1.0 CB A:PHE264 4.7 106.7 1.0 N A:CYS285 4.8 58.6 1.0 CA A:GLY284 4.9 64.8 1.0 C A:GLY284 4.9 60.1 1.0 CG2 A:ILE341 5.0 41.2 1.0

Chlorine binding site 2 out of 2 in the Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ppar Gamma Lbd Bound to SR10221 and Smrt Corepressor Motif within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:62.7 occ:1.00 CL40 B:A8R501 0.0 62.7 1.0 C16 B:A8R501 1.8 66.5 1.0 C15 B:A8R501 2.8 66.0 1.0 C17 B:A8R501 2.8 66.9 1.0 O19 B:A8R501 3.0 62.5 1.0 CG2 B:ILE281 3.6 41.9 1.0 CE B:MET348 3.9 62.2 1.0 NE2 B:HIS266 4.0 115.7 1.0 C14 B:A8R501 4.1 66.6 1.0 C18 B:A8R501 4.1 68.9 1.0 O B:ILE281 4.1 58.8 1.0 SG B:CYS285 4.2 52.7 1.0 SD B:MET348 4.3 60.4 1.0 CB B:ILE281 4.4 59.2 1.0 C20 B:A8R501 4.4 59.1 1.0 CA B:ILE281 4.4 63.5 1.0 CG2 B:ILE341 4.5 40.5 1.0 C13 B:A8R501 4.6 66.2 1.0 CG1 B:ILE281 4.6 56.8 1.0 CD2 B:HIS266 4.6 116.8 1.0 C B:ILE281 4.7 65.2 1.0 O23 B:A8R501 4.8 58.5 1.0

R.L.Frkic, J.L.Pederick, A.Horsfall, B.Jovcevski, E.Bruning, P.Nair, H.Rajapaksha, T.Pukala, M.Chang, B.Pascal, T.Kamenecka, J.Harmer, P.Griffin, J.B.Bruning. Ppargama Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles Acs Chem.Biol. 2023.
ISSN: ESSN 1554-8937
DOI: 10.1021/ACSCHEMBIO.2C00917