Fluorine in PDB 6izn: Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G

The structure of Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G, PDB code: 6izn was solved by Y.Matsui, H.Hanzawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.994, 54.353, 66.594, 90.00, 92.60, 90.00
R / Rfree (%)	25.6 / 28

The binding sites of Fluorine atom in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G (pdb code 6izn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G, PDB code: 6izn:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Ppargamma-Lbd Complexed with Compound 3G within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:25.1 occ:1.00 F30 A:B1O501 0.0 25.1 1.0 C3 A:B1O501 1.3 26.6 1.0 C2 A:B1O501 2.3 28.1 1.0 C7 A:B1O501 2.4 25.3 1.0 O1 A:B1O501 2.7 29.4 1.0 C13 A:B1O501 3.0 25.4 1.0 N8 A:B1O501 3.0 24.4 1.0 SD A:MET348 3.1 28.5 1.0 CG2 A:ILE281 3.2 24.1 1.0 CE A:MET348 3.4 24.4 1.0 C5 A:B1O501 3.6 27.7 1.0 C23 A:B1O501 3.6 30.2 1.0 C6 A:B1O501 3.7 24.8 1.0 O A:ILE281 3.7 24.4 1.0 C24 A:B1O501 3.8 29.7 1.0 CB A:ILE281 4.1 24.3 1.0 SG A:CYS285 4.1 24.2 1.0 CA A:ILE281 4.1 25.3 1.0 C4 A:B1O501 4.1 26.8 1.0 C9 A:B1O501 4.3 25.1 1.0 C A:ILE281 4.3 25.7 1.0 CG1 A:ILE281 4.4 24.8 1.0 CD2 A:LEU353 4.6 25.5 1.0 N10 A:B1O501 4.6 24.1 1.0 C26 A:B1O501 4.9 29.3 1.0 CG A:MET348 4.9 24.9 1.0 N A:CYS285 4.9 23.2 1.0

T.Shinozuka, T.Tsukada, K.Fujii, E.Tokumaru, Y.Matsui, S.Wakimoto, T.Ogata, K.Araki, R.Sawamura, N.Watanabe, M.Mori, J.Tanaka. Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of Ds-6930. Acs Med.Chem.Lett. V. 10 358 2019.
ISSN: ISSN 1948-5875
PubMed: 30891140
DOI: 10.1021/ACSMEDCHEMLETT.8B00645