Fluorine in PDB 8t9v: Rta-Runt-59 Complex Structure

All present enzymatic activity of Rta-Runt-59 Complex Structure:
3.2.2.22;

The structure of Rta-Runt-59 Complex Structure, PDB code: 8t9v was solved by M.J.Rudolph, N.Tumer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.81 / 1.95
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	169.078, 169.078, 54.772, 90, 90, 120
R / Rfree (%)	17.7 / 20.6

The binding sites of Fluorine atom in the Rta-Runt-59 Complex Structure (pdb code 8t9v). 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 Rta-Runt-59 Complex Structure, PDB code: 8t9v:

Fluorine binding site 1 out of 1 in the Rta-Runt-59 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rta-Runt-59 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:92.9 occ:1.00 F12 A:ZJT301 0.0 92.9 1.0 C11 A:ZJT301 1.4 66.3 1.0 C13 A:ZJT301 2.5 60.7 1.0 C10 A:ZJT301 2.5 58.5 1.0 CD2 A:LEU248 3.2 51.2 1.0 CG1 A:ILE247 3.4 71.4 1.0 CG1 A:VAL242 3.6 69.5 1.0 O A:ILE247 3.6 52.1 1.0 CG A:LEU248 3.6 55.2 1.0 CG2 A:ILE247 3.7 69.5 1.0 C14 A:ZJT301 3.9 57.5 1.0 C09 A:ZJT301 3.9 59.3 1.0 C A:ILE247 3.9 56.5 1.0 CB A:ILE247 4.1 72.1 1.0 N A:LEU248 4.2 53.2 1.0 CA A:LEU248 4.3 51.8 1.0 CG1 A:ILE251 4.4 55.0 1.0 C08 A:ZJT301 4.4 58.0 1.0 CD1 A:LEU232 4.5 55.5 1.0 CB A:LEU248 4.6 55.7 1.0 CB A:VAL242 4.6 72.6 1.0 CA A:ILE247 4.7 62.0 1.0 CE1 A:PHE240 4.7 62.6 1.0 CD1 A:ILE247 4.8 78.6 1.0 CD1 A:LEU248 4.8 53.1 1.0

M.J.Rudolph, A.Dutta, A.M.Tsymbal, J.E.Mclaughlin, Y.Chen, S.A.Davis, S.A.Theodorous, M.Pierce, B.Algava, X.Zhang, Z.Szekely, J.Y.Roberge, X.P.Li, N.E.Tumer. Structure-Based Design and Optimization of A New Class of Small Molecule Inhibitors Targeting the P-Stalk Binding Pocket of Ricin. Bioorg.Med.Chem. V. 100 17614 2024.
ISSN: ESSN 1464-3391
PubMed: 38340640
DOI: 10.1016/J.BMC.2024.117614