Fluorine in PDB 7r9z: LC3A in Complex with Fragment 2-3

The structure of LC3A in Complex with Fragment 2-3, PDB code: 7r9z was solved by L.Rouge, M.Steffek, E.Helgason, E.Dueber, M.Mulvihill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.73 / 1.72
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	93.463, 93.463, 32.322, 90, 90, 90
R / Rfree (%)	19.2 / 21.9

The binding sites of Fluorine atom in the LC3A in Complex with Fragment 2-3 (pdb code 7r9z). 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 LC3A in Complex with Fragment 2-3, PDB code: 7r9z:

Fluorine binding site 1 out of 1 in the LC3A in Complex with Fragment 2-3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LC3A in Complex with Fragment 2-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:54.4 occ:1.00 F7 A:2LZ201 0.0 54.4 1.0 C6 A:2LZ201 1.3 46.4 1.0 C5 A:2LZ201 2.3 47.2 1.0 C1 A:2LZ201 2.4 35.6 1.0 C4 A:2LZ201 3.6 49.1 1.0 C2 A:2LZ201 3.6 35.1 1.0 CG A:PRO55 3.9 28.1 1.0 C3 A:2LZ201 4.1 38.7 1.0 CD A:PRO55 4.3 30.7 1.0 C8 A:2LZ201 5.0 41.1 1.0

M.Steffek, E.Helgason, N.Popovych, L.Rouge, J.M.Bruning, K.S.Li, D.J.Burdick, J.Cai, T.Crawford, J.Xue, W.Decurtins, C.Fang, F.Grubers, M.J.Holliday, A.Langley, A.Petersen, A.L.Satz, A.Song, D.Stoffler, Q.Strebel, J.Y.K.Tom, N.Skelton, S.T.Staben, M.Wichert, M.M.Mulvihill, E.C.Dueber. A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry 2022.
ISSN: ISSN 0006-2960
PubMed: 34985287
DOI: 10.1021/ACS.BIOCHEM.1C00682