Chlorine in PDB 3oz0: Ppar Delta in Complex with AZPPARD02

The structure of Ppar Delta in Complex with AZPPARD02, PDB code: 3oz0 was solved by D.Ogg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.49 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.258, 49.134, 58.574, 90.00, 105.34, 90.00
R / Rfree (%)	21.5 / 27

The binding sites of Chlorine atom in the Ppar Delta in Complex with AZPPARD02 (pdb code 3oz0). 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 Delta in Complex with AZPPARD02, PDB code: 3oz0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ppar Delta in Complex with AZPPARD02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ppar Delta in Complex with AZPPARD02 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:91.2 occ:1.00 CL7 A:3OZ1 0.0 91.2 1.0 C6 A:3OZ1 1.7 89.9 1.0 C4 A:3OZ1 2.7 89.7 1.0 C5 A:3OZ1 2.7 89.9 1.0 CB A:ARG284 3.4 45.6 1.0 CG A:ARG284 3.8 47.3 1.0 CB A:VAL341 3.9 53.0 1.0 CG1 A:VAL341 4.0 53.2 1.0 C2 A:3OZ1 4.0 90.1 1.0 C3 A:3OZ1 4.0 89.9 1.0 CG2 A:VAL341 4.1 53.1 1.0 CD A:ARG284 4.2 52.0 1.0 CG2 A:VAL348 4.4 56.3 1.0 C1 A:3OZ1 4.5 88.3 1.0 CA A:ARG284 4.7 44.2 1.0 C A:ARG284 4.9 43.9 1.0 O A:ARG284 4.9 43.8 1.0

Chlorine binding site 2 out of 2 in the Ppar Delta in Complex with AZPPARD02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ppar Delta in Complex with AZPPARD02 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:92.1 occ:1.00 CL8 A:3OZ1 0.0 92.1 1.0 C2 A:3OZ1 1.7 90.1 1.0 C4 A:3OZ1 2.7 89.7 1.0 C1 A:3OZ1 2.7 88.3 1.0 N9 A:3OZ1 2.9 88.4 1.0 CG A:LEU353 3.5 54.4 1.0 CD2 A:LEU353 3.5 55.1 1.0 CG1 A:VAL281 3.5 45.3 1.0 CD1 A:LEU353 3.5 52.7 1.0 C6 A:3OZ1 4.0 89.9 1.0 C3 A:3OZ1 4.0 89.9 1.0 SG A:CYS285 4.1 48.0 1.0 CD1 A:ILE364 4.1 49.8 1.0 C10 A:3OZ1 4.3 84.4 1.0 CG1 A:VAL348 4.4 55.0 1.0 C5 A:3OZ1 4.5 89.9 1.0 CD2 A:LEU339 4.6 58.4 1.0 CG2 A:ILE364 4.7 50.4 1.0 CG1 A:ILE364 4.9 50.1 1.0 CB A:VAL348 4.9 55.5 1.0 CB A:LEU353 4.9 55.7 1.0 CB A:VAL281 4.9 45.6 1.0

C.A.Luckhurst, L.A.Stein, M.Furber, N.Webb, M.J.Ratcliffe, G.Allenby, S.Botterell, W.Tomlinson, B.Martin, A.Walding. Discovery of Isoindoline and Tetrahydroisoquinoline Derivatives As Potent, Selective Pparδ Agonists Bioorg.Med.Chem.Lett. V. 21 492 2011.
ISSN: ISSN 0960-894X
PubMed: 21094606
DOI: 10.1016/J.BMCL.2010.10.117