Iodine in PDB 6fzj: Ppar Gamma Mutant Complex

The structure of Ppar Gamma Mutant Complex, PDB code: 6fzj was solved by N.Rochel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.18 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.270, 126.430, 54.720, 90.00, 94.91, 90.00
R / Rfree (%)	17.5 / 22.6

The structure of Ppar Gamma Mutant Complex also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iodine atom in the Ppar Gamma Mutant Complex (pdb code 6fzj). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Ppar Gamma Mutant Complex, PDB code: 6fzj:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I551 b:34.2 occ:0.83 O A:HOH776 3.3 55.0 1.0 O A:HOH688 3.4 22.1 1.0 CA A:SER370 3.7 23.3 1.0 N A:SER370 3.7 19.2 1.0 CB A:SER370 3.9 20.9 1.0 CD2 A:PHE292 4.1 44.6 1.0 CB A:ARG316 4.1 26.7 1.0 CB A:LYS291 4.2 31.4 1.0 N A:PHE292 4.2 31.1 1.0 CD1 A:PHE315 4.2 22.7 1.0 CE1 A:PHE315 4.2 26.2 1.0 C26 A:EDK550 4.2 32.7 1.0 CG2 A:ILE290 4.3 50.9 1.0 CD A:ARG316 4.5 17.1 1.0 O A:HOH614 4.5 41.7 1.0 CB A:PHE292 4.5 30.6 1.0 OG A:SER370 4.6 36.2 1.0 CG A:ARG316 4.6 19.0 1.0 N A:LYS291 4.7 30.5 1.0 CA A:ARG316 4.8 31.0 1.0 CA A:LYS291 4.8 31.7 1.0 CG A:PHE292 4.8 42.7 1.0 C A:LYS291 4.8 41.9 1.0 N2 A:EDK550 4.8 33.7 1.0 C A:ILE369 4.9 19.5 1.0 CD A:LYS291 4.9 51.2 1.0 CA A:PHE292 4.9 32.5 1.0 CG A:LYS291 5.0 40.7 1.0 CB A:ILE369 5.0 28.8 1.0 CE2 A:PHE292 5.0 43.7 1.0 O A:GLY312 5.0 34.9 1.0

Iodine binding site 2 out of 2 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:I551 b:30.4 occ:0.77 O B:HOH750 3.5 64.8 1.0 O B:HOH622 3.6 25.2 1.0 CA B:SER370 3.7 25.6 1.0 N B:SER370 3.7 29.0 1.0 CD2 B:PHE292 4.0 37.2 1.0 CB B:LYS291 4.1 34.7 1.0 CB B:ARG316 4.1 22.9 1.0 N B:PHE292 4.2 31.1 1.0 CB B:SER370 4.2 25.2 1.0 CD1 B:PHE315 4.2 30.9 1.0 CE1 B:PHE315 4.3 31.8 1.0 C26 B:EDK550 4.3 33.7 1.0 CD B:ARG316 4.4 33.3 1.0 CG2 B:ILE290 4.6 53.6 1.0 CB B:PHE292 4.6 30.7 1.0 OG B:SER370 4.6 38.8 1.0 CG B:ARG316 4.7 25.3 1.0 N B:LYS291 4.7 30.4 1.0 CA B:ARG316 4.7 24.2 1.0 CA B:LYS291 4.7 35.7 1.0 C B:LYS291 4.8 36.5 1.0 N2 B:EDK550 4.8 29.7 1.0 CG B:PHE292 4.8 37.8 1.0 CA B:PHE292 4.9 31.5 1.0 CE2 B:PHE292 4.9 38.5 1.0 C B:ILE369 5.0 27.1 1.0

N.Rochel, C.Krucker, L.Coutos-Thevenot, J.Osz, R.Zhang, E.Guyon, W.Zita, S.Vanthong, O.A.Hernandez, M.Bourguet, K.A.Badawy, F.Dufour, C.Peluso-Iltis, S.Heckler-Beji, A.Dejaegere, A.Kamoun, A.De Reynies, Y.Neuzillet, S.Rebouissou, C.Beraud, H.Lang, T.Massfelder, Y.Allory, S.Cianferani, R.H.Stote, F.Radvanyi, I.Bernard-Pierrot. Recurrent Activating Mutations of Ppar Gamma Associated with Luminal Bladder Tumors. Nat Commun V. 10 253 2019.
ISSN: ESSN 2041-1723
PubMed: 30651555
DOI: 10.1038/S41467-018-08157-Y