Fluorine in PDB 7q3b: Crystal Structure of Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp

The structure of Crystal Structure of Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp, PDB code: 7q3b was solved by M.Smola, M.Klima, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.02 / 2.56
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.728, 110.728, 35.746, 90, 90, 90
R / Rfree (%)	19.1 / 23.2

The binding sites of Fluorine atom in the Crystal Structure of Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp (pdb code 7q3b). 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 Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp, PDB code: 7q3b:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp


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 Human Sting in Complex with 3'3'-C-(2'F,2'Da- Isonuca)Mp within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:27.4 occ:0.50 F6 A:8SC401 0.0 27.4 0.5 C16 A:8SC401 1.4 24.7 0.5 C15 A:8SC401 2.3 24.0 0.5 C17 A:8SC401 2.3 24.9 0.5 O7 A:8SC401 2.6 23.9 0.5 C18 A:8SC401 2.9 24.5 0.5 O5 A:8SC401 3.1 24.0 0.5 N6 A:8SC401 3.4 25.5 0.5 O3 A:8SC401 3.6 26.4 0.5 P A:8SC401 3.7 26.8 0.5 N5 A:8SC401 3.7 26.8 0.5 C11 A:8SC401 3.8 25.1 0.5 C19 A:8SC401 4.3 24.9 0.5 O A:8SC401 4.4 22.9 0.5 C14 A:8SC401 4.4 25.1 0.5 NH1 A:ARG238 4.7 23.9 1.0 C10 A:8SC401 5.0 26.2 0.5 O8 A:8SC401 5.0 26.4 0.5

M.Dejmek, M.Sala, A.Brazdova, L.Vanekova, M.Smola, M.Klima, P.Brehova, M.Budesinsky, M.Dracinsky, E.Prochazkova, M.Zavrel, O.Simak, O.Pav, E.Boura, G.Birkus, R.Nencka. Discovery of Isonucleotidic Cdns As Potent Sting Agonists with Immunomodulatory Potential. Structure V. 30 1146 2022.
ISSN: ISSN 0969-2126
PubMed: 35690061
DOI: 10.1016/J.STR.2022.05.012