Chlorine 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:

Iodine

(I)

2 atoms

The binding sites of Chlorine atom in the Ppar Gamma Mutant Complex (pdb code 6fzj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ppar Gamma Mutant Complex, PDB code: 6fzj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:56.0 occ:1.00 O A:HOH729 2.8 49.8 1.0 O A:HOH628 3.0 39.6 1.0 O A:HOH705 3.3 40.1 1.0 ND2 A:ASN403 3.4 26.3 1.0 CB A:ASN403 3.8 21.0 1.0 CA A:ASN363 3.9 20.6 1.0 N A:LYS364 4.1 25.7 1.0 CA A:VAL400 4.1 30.1 1.0 CG A:ASN403 4.1 31.7 1.0 O A:MET362 4.2 30.7 1.0 C A:ASN363 4.2 21.7 1.0 CG2 A:VAL400 4.3 36.5 1.0 O A:HOH777 4.4 51.7 1.0 O A:ALA399 4.4 30.5 1.0 O A:HOH784 4.6 40.8 1.0 CB A:ASN363 4.6 29.7 1.0 CB A:VAL400 4.7 34.6 1.0 N A:VAL400 4.8 30.4 1.0 O A:VAL400 4.8 36.6 1.0 C A:ALA399 4.8 34.4 1.0 C A:MET362 4.8 28.7 1.0 N A:ASN363 4.9 25.2 1.0 CA A:LYS364 4.9 35.8 1.0 C A:VAL400 5.0 36.4 1.0 CG1 A:VAL400 5.0 28.5 1.0 O A:ASN363 5.0 24.1 1.0

Chlorine binding site 2 out of 4 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl553 b:68.2 occ:1.00 NE2 A:GLN311 3.3 55.7 1.0 CG A:GLN311 3.6 38.3 1.0 O A:ASP490 3.9 74.8 1.0 CD A:GLN311 4.0 54.2 1.0 CA A:MET491 4.1 52.0 1.0 SD A:MET491 4.1 66.6 1.0 CD1 A:PHE310 4.3 30.1 1.0 CE1 A:PHE310 4.3 32.7 1.0 O A:SER492 4.3 37.9 1.0 C A:MET491 4.6 52.7 1.0 NE2 A:GLN314 4.7 31.4 1.0 C A:ASP490 4.8 66.1 1.0 CB A:MET491 4.8 52.8 1.0 CB A:GLN311 4.9 26.0 1.0 N A:SER492 4.9 58.4 1.0 CG A:MET491 4.9 60.4 1.0 CG2 A:ILE307 4.9 30.2 1.0 N A:MET491 5.0 53.8 1.0

Chlorine binding site 3 out of 4 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl554 b:30.5 occ:0.40 OE2 A:GLU455 0.8 52.1 0.5 CD A:GLU455 1.2 49.6 0.5 OE1 A:GLU455 1.6 49.5 0.5 CG A:GLU455 2.7 45.1 0.5 O A:HOH736 3.2 53.4 1.0 N A:GLU455 3.2 46.2 1.0 CA A:HIS453 3.4 27.2 1.0 CD A:PRO454 3.4 26.4 1.0 C A:HIS453 3.4 28.8 1.0 CB A:GLU455 3.4 46.7 0.5 N A:PRO454 3.5 29.8 1.0 CB A:GLU455 3.6 46.5 0.5 CG A:GLU455 3.6 48.4 0.5 CA A:GLU455 3.8 48.3 0.5 CA A:GLU455 3.9 48.2 0.5 CB A:HIS453 3.9 26.1 1.0 O A:HOH762 4.0 58.0 1.0 O A:HIS453 4.1 31.9 1.0 N A:SER456 4.2 46.4 0.5 C A:PRO454 4.2 46.9 1.0 N A:SER456 4.2 46.5 0.5 OG A:SER456 4.3 54.4 0.5 CA A:PRO454 4.4 35.0 1.0 C A:GLU455 4.4 48.0 1.0 O A:ASN452 4.4 31.2 1.0 N A:HIS453 4.6 33.2 1.0 CG A:PRO454 4.6 30.3 1.0 O A:HOH673 4.7 61.2 1.0 OG A:SER456 4.8 51.5 0.5 ND1 A:HIS453 4.8 32.0 1.0 CG A:HIS453 4.8 25.1 1.0 CB A:PRO454 4.9 33.5 1.0 C A:ASN452 5.0 32.9 1.0

Chlorine binding site 4 out of 4 in the Ppar Gamma Mutant Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ppar Gamma Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl552 b:45.9 occ:1.00 O B:HOH726 2.7 48.5 1.0 O B:HOH696 3.1 41.9 1.0 O B:HOH681 3.2 50.1 1.0 ND2 B:ASN403 3.6 22.2 1.0 CA B:ASN363 3.9 26.8 1.0 CB B:ASN403 4.0 25.9 1.0 O B:MET362 4.2 26.8 1.0 N B:LYS364 4.2 30.3 1.0 CA B:VAL400 4.3 37.4 1.0 C B:ASN363 4.3 27.6 1.0 CG B:ASN403 4.3 21.6 1.0 CG2 B:VAL400 4.3 34.8 1.0 CB B:ASN363 4.5 27.1 1.0 O B:ALA399 4.7 36.3 1.0 CB B:VAL400 4.8 39.4 1.0 C B:MET362 4.8 29.0 1.0 N B:ASN363 4.8 20.2 1.0 O B:VAL400 4.9 43.1 1.0 N B:VAL400 4.9 35.9 1.0 CG1 B:VAL400 5.0 47.7 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