Fluorine in PDB 5wr0: Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method

The structure of Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method, PDB code: 5wr0 was solved by H.Kojima, T.Itoh, K.Yamamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.730, 61.210, 118.350, 90.00, 102.95, 90.00
R / Rfree (%)	25 / 30

The binding sites of Fluorine atom in the Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method (pdb code 5wr0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method, PDB code: 5wr0:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:46.0 occ:1.00 F2 A:8Y0501 0.0 46.0 1.0 C40 A:8Y0501 1.3 43.6 1.0 F A:8Y0501 2.2 43.2 1.0 F1 A:8Y0501 2.2 44.8 1.0 C38 A:8Y0501 2.3 41.9 1.0 N5 A:8Y0501 2.8 42.1 1.0 O2 A:8Y0501 3.3 41.8 1.0 C37 A:8Y0501 3.9 43.1 1.0

Fluorine binding site 2 out of 3 in the Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:43.2 occ:1.00 F A:8Y0501 0.0 43.2 1.0 C40 A:8Y0501 1.3 43.6 1.0 F1 A:8Y0501 2.2 44.8 1.0 F2 A:8Y0501 2.2 46.0 1.0 C38 A:8Y0501 2.3 41.9 1.0 N5 A:8Y0501 2.9 42.1 1.0 O2 A:8Y0501 3.2 41.8 1.0 C37 A:8Y0501 4.3 43.1 1.0

Fluorine binding site 3 out of 3 in the Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Huisgen Cycloaddition For Pparg-Lbd Labeling By Soaking Method within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:44.8 occ:1.00 F1 A:8Y0501 0.0 44.8 1.0 C40 A:8Y0501 1.3 43.6 1.0 F A:8Y0501 2.2 43.2 1.0 F2 A:8Y0501 2.2 46.0 1.0 C38 A:8Y0501 2.3 41.9 1.0 O2 A:8Y0501 2.6 41.8 1.0 N5 A:8Y0501 3.5 42.1 1.0 OE1 A:GLU343 4.4 40.8 1.0 C37 A:8Y0501 4.7 43.1 1.0 CB A:LYS263 4.9 48.5 1.0

H.Kojima, T.Itoh, K.Yamamoto. On-Site Reaction For Ppar Gamma Modification Using A Specific Bifunctional Ligand Bioorg. Med. Chem. V. 25 6492 2017.
ISSN: ESSN 1464-3391
PubMed: 29097031
DOI: 10.1016/J.BMC.2017.10.024