Fluorine in PDB 6s27: Crystal Structure of Human Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp

The structure of Crystal Structure of Human Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp, PDB code: 6s27 was solved by M.Smola, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.24 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.441, 111.441, 35.240, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 27.6

The binding sites of Fluorine atom in the Crystal Structure of Human Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp (pdb code 6s27). 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 Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp, PDB code: 6s27:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp


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 Wild Type Sting in Complex with 2'3'- Cyclic-Gmp-2'F-2'Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:30.8 occ:0.50 F1 A:KT8401 0.0 30.8 0.5 C16 A:KT8401 1.4 34.1 0.5 H5 A:KT8401 2.0 41.0 0.5 C17 A:KT8401 2.3 30.7 0.5 H6 A:KT8401 2.4 36.8 0.5 C15 A:KT8401 2.4 35.6 0.5 O7 A:KT8401 2.6 34.3 0.5 H7 A:KT8401 3.1 38.3 0.5 C18 A:KT8401 3.1 31.9 0.5 O5 A:KT8401 3.2 31.0 0.5 O20 A:KT8401 3.2 30.3 0.5 H4 A:KT8401 3.3 42.7 0.5 N6 A:KT8401 3.3 29.5 0.5 P A:KT8401 3.4 30.9 0.5 N5 A:KT8401 3.6 31.4 0.5 C11 A:KT8401 3.7 30.5 0.5 O3 A:KT8401 4.0 30.6 0.5 HH12 A:ARG238 4.1 44.8 1.0 C14 A:KT8401 4.4 32.5 0.5 C19 A:KT8401 4.6 31.2 0.5 HH22 A:ARG238 4.6 34.5 1.0 O A:HOH507 4.7 35.9 1.0 O2 A:KT8401 4.7 36.0 0.5 C10 A:KT8401 4.8 32.9 0.5 H15 A:KT8401 4.8 39.0 0.5 NH1 A:ARG238 4.9 37.4 1.0

B.Novotna, L.Vanekova, M.Zavrel, M.Budesinsky, M.Dejmek, M.Smola, O.Gutten, Z.A.Tehrani, M.Pimkova Polidarova, A.Brazdova, R.Liboska, I.Stepanek, Z.Vavrina, T.Jandusik, R.Nencka, L.Rulisek, E.Boura, J.Brynda, O.Pav, G.Birkus. Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31715099
DOI: 10.1021/ACS.JMEDCHEM.9B01062