Fluorine in PDB 1gwx: Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors

The structure of Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors, PDB code: 1gwx was solved by H.E.Xu, M.H.Lambert, V.G.Montana, D.J.Park, S.Blanchard, P.Brown, D.Sternbach, J.Lehmann, G.W.Bruce, T.M.Willson, S.A.Kliewer, M.V.Milburn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.250, 94.900, 96.200, 90.00, 98.00, 90.00
R / Rfree (%)	24.6 / 30.3

The structure of Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Fluorine atom in the Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors (pdb code 1gwx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors, PDB code: 1gwx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:35.0 occ:1.00 F2G A:4331 0.0 35.0 1.0 C2G A:4331 1.4 34.5 1.0 C2I A:4331 2.3 34.7 1.0 C2E A:4331 2.4 31.9 1.0 CG2 A:THR288 2.8 47.0 1.0 C2D A:4331 3.0 30.1 1.0 OG1 A:THR292 3.0 31.2 1.0 C2F A:4331 3.6 30.6 1.0 C2J A:4331 3.6 34.6 1.0 C2C A:4331 3.8 34.2 1.0 CB A:THR288 4.0 46.8 1.0 C2H A:4331 4.1 31.0 1.0 O A:THR288 4.2 51.0 1.0 CB A:THR292 4.4 29.3 1.0 C A:THR288 4.7 50.8 1.0 CD1 A:ILE333 4.8 31.8 1.0 O2A A:4331 4.9 46.1 1.0 CA A:THR288 4.9 48.5 1.0 OG1 A:THR288 5.0 49.1 1.0

Fluorine binding site 2 out of 2 in the Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors within 5.0Å range: probe atom residue distance (Å) B Occ B:F2 b:37.6 occ:1.00 F2G B:4332 0.0 37.6 1.0 C2G B:4332 1.3 40.4 1.0 C2I B:4332 2.3 36.9 1.0 C2E B:4332 2.4 41.6 1.0 CG2 B:THR288 2.6 40.3 1.0 C2D B:4332 3.1 43.0 1.0 OG1 B:THR292 3.4 37.9 1.0 C2J B:4332 3.6 37.7 1.0 C2F B:4332 3.6 41.4 1.0 C2C B:4332 3.9 51.3 1.0 CB B:THR288 4.0 38.5 1.0 C2H B:4332 4.1 39.4 1.0 O B:THR288 4.7 45.3 1.0 CB B:THR292 4.7 40.6 1.0 CD1 B:ILE333 4.7 22.1 1.0 C B:THR288 4.8 44.1 1.0 O2A B:4332 4.8 54.2 1.0 OG1 B:THR288 4.8 37.0 1.0 CA B:THR288 4.9 41.8 1.0

H.E.Xu, M.H.Lambert, V.G.Montana, D.J.Parks, S.G.Blanchard, P.J.Brown, D.D.Sternbach, J.M.Lehmann, G.B.Wisely, T.M.Willson, S.A.Kliewer, M.V.Milburn. Molecular Recognition of Fatty Acids By Peroxisome Proliferator-Activated Receptors. Mol.Cell V. 3 397 1999.
ISSN: ISSN 1097-2765
PubMed: 10198642
DOI: 10.1016/S1097-2765(00)80467-0