Chlorine in PDB 6tdc: Ppar Gamma Ligand Binding Domain in Complex with Mrl-871

The structure of Ppar Gamma Ligand Binding Domain in Complex with Mrl-871, PDB code: 6tdc was solved by R.M.J.M.De Vries, I.A.Leijten-Van De Gevel, K.H.N.Van Herk, L.Brunsveld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.57 / 2.33
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.142, 93.142, 130.574, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 23.9

The structure of Ppar Gamma Ligand Binding Domain in Complex with Mrl-871 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Ppar Gamma Ligand Binding Domain in Complex with Mrl-871 (pdb code 6tdc). 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 Ppar Gamma Ligand Binding Domain in Complex with Mrl-871, PDB code: 6tdc:

Chlorine binding site 1 out of 1 in the Ppar Gamma Ligand Binding Domain in Complex with Mrl-871


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ppar Gamma Ligand Binding Domain in Complex with Mrl-871 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:55.6 occ:1.00 CL A:4F1601 0.0 55.6 1.0 C10 A:4F1601 1.7 47.3 1.0 C11 A:4F1601 2.7 41.6 1.0 C9 A:4F1601 2.7 45.7 1.0 C8 A:4F1601 3.0 56.3 1.0 O2 A:4F1601 3.3 62.5 1.0 CE A:MET392 3.5 62.2 1.0 N1 A:4F1601 3.6 47.7 1.0 CD1 A:PHE310 3.6 38.7 1.0 CE2 A:PHE391 3.8 39.4 1.0 CD2 A:PHE391 3.9 47.2 1.0 C12 A:4F1601 4.0 41.5 1.0 CG A:MET392 4.0 45.4 1.0 CB A:CYS313 4.0 46.0 1.0 C14 A:4F1601 4.0 49.3 1.0 SD A:MET392 4.0 53.8 1.0 N A:4F1601 4.1 38.4 1.0 CA A:PHE310 4.2 50.8 1.0 CE1 A:PHE310 4.3 43.7 1.0 SG A:CYS313 4.3 49.4 1.0 O A:PHE310 4.3 40.9 1.0 C16 A:4F1601 4.4 41.0 1.0 CG A:PHE310 4.5 44.0 1.0 C13 A:4F1601 4.5 50.5 1.0 CB A:PHE310 4.6 42.8 1.0 C A:PHE310 4.8 48.4 1.0 C17 A:4F1601 4.9 44.2 1.0

I.A.Leijten-Van De Gevel, K.H.N.Van Herk, R.M.J.M.De Vries, L.Brunsveld. Binding of Ppar(Gamma) to MRL871 To Be Published.