Fluorine in PDB 6xnp: Crystal Structure of Human Sting Ctd Complex with Sr-717

The structure of Crystal Structure of Human Sting Ctd Complex with Sr-717, PDB code: 6xnp was solved by E.N.Chin, C.Yu, D.W.Wolan, H.M.Petrassi, L.L.Lairson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.04 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.487, 77.627, 135.378, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.2

The binding sites of Fluorine atom in the Crystal Structure of Human Sting Ctd Complex with Sr-717 (pdb code 6xnp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Sting Ctd Complex with Sr-717, PDB code: 6xnp:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Human Sting Ctd Complex with Sr-717


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 Ctd Complex with Sr-717 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:14.3 occ:1.00 F14 A:V67401 0.0 14.3 1.0 C13 A:V67401 1.4 12.4 1.0 C15 A:V67401 2.4 12.9 1.0 C12 A:V67401 2.4 11.7 1.0 OG A:SER162 2.7 11.5 0.3 F16 A:V67401 2.7 14.0 1.0 C A:SER162 3.3 10.8 0.3 CB A:SER162 3.4 11.3 0.3 CB A:SER162 3.4 11.8 0.3 OG A:SER162 3.4 12.6 0.3 C A:SER162 3.4 10.9 0.3 O A:SER162 3.4 10.0 0.3 CB A:SER162 3.4 10.5 0.3 C A:SER162 3.4 10.4 0.3 O A:SER162 3.5 10.0 0.3 N A:TYR163 3.6 10.4 1.0 O A:SER162 3.6 9.6 0.3 C17 A:V67401 3.6 12.9 1.0 C11 A:V67401 3.7 11.6 1.0 F14 B:V67401 3.7 13.5 1.0 F16 B:V67401 3.7 13.6 1.0 C15 B:V67401 3.8 12.4 1.0 C13 B:V67401 3.8 12.5 1.0 CA A:TYR163 3.9 10.0 1.0 CA A:SER162 3.9 11.1 0.3 CG A:PRO264 4.0 12.3 1.0 CA A:SER162 4.0 11.5 0.3 CA A:SER162 4.0 10.7 0.3 C18 A:V67401 4.1 12.3 1.0 O A:LEU159 4.4 10.4 1.0 C17 B:V67401 4.5 12.1 1.0 C12 B:V67401 4.5 11.6 1.0 CB A:TYR163 4.6 9.6 1.0 OG A:SER162 4.7 10.2 0.3 O9 A:V67401 4.8 13.8 1.0 N10 A:V67401 4.8 10.9 1.0 CB A:PRO264 4.9 13.3 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Human Sting Ctd Complex with Sr-717


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Sting Ctd Complex with Sr-717 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:14.0 occ:1.00 F16 A:V67401 0.0 14.0 1.0 C15 A:V67401 1.3 12.9 1.0 C17 A:V67401 2.4 12.9 1.0 C13 A:V67401 2.4 12.4 1.0 OG A:SER162 2.7 12.6 0.3 F14 A:V67401 2.7 14.3 1.0 O B:HOH501 3.3 34.1 1.0 CB A:SER162 3.5 10.5 0.3 F14 B:V67401 3.6 13.5 1.0 C12 A:V67401 3.6 11.7 1.0 C18 A:V67401 3.6 12.3 1.0 CB A:SER162 3.7 11.8 0.3 CB A:SER162 3.7 11.3 0.3 O A:SER162 3.8 10.0 0.3 CA B:PRO264 3.9 13.5 1.0 O A:SER162 3.9 10.0 0.3 CG B:PRO264 4.0 14.9 1.0 OG A:SER162 4.0 11.5 0.3 O A:SER162 4.0 9.6 0.3 CB B:PRO264 4.1 15.2 1.0 C13 B:V67401 4.1 12.5 1.0 C11 A:V67401 4.2 11.6 1.0 OG A:SER162 4.2 10.2 0.3 C A:SER162 4.2 10.8 0.3 N B:PRO264 4.2 12.4 1.0 C A:SER162 4.2 10.9 0.3 C12 B:V67401 4.3 11.6 1.0 OG1 B:THR267 4.3 27.9 1.0 C A:SER162 4.3 10.4 0.3 CA A:SER162 4.3 11.1 0.3 CA A:SER162 4.3 11.5 0.3 CA A:SER162 4.3 10.7 0.3 OG1 B:THR263 4.4 18.1 1.0 CD B:PRO264 4.5 14.8 1.0 C B:THR263 4.7 12.5 1.0 O B:THR263 4.7 12.1 1.0 C15 B:V67401 4.9 12.4 1.0 C19 A:V67401 4.9 13.9 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Human Sting Ctd Complex with Sr-717


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Sting Ctd Complex with Sr-717 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:13.5 occ:1.00 F14 B:V67401 0.0 13.5 1.0 C13 B:V67401 1.4 12.5 1.0 C12 B:V67401 2.3 11.6 1.0 C15 B:V67401 2.4 12.4 1.0 F16 B:V67401 2.8 13.6 1.0 OG B:SER162 3.0 14.7 0.5 O B:SER162 3.2 12.2 0.5 C B:SER162 3.3 11.1 0.5 C B:SER162 3.5 10.8 0.5 N B:TYR163 3.5 10.5 1.0 CB B:SER162 3.6 12.5 0.5 C17 B:V67401 3.6 12.1 1.0 C11 B:V67401 3.6 11.4 1.0 O B:SER162 3.6 11.1 0.5 F16 A:V67401 3.6 14.0 1.0 CB B:SER162 3.7 12.1 0.5 CA B:TYR163 3.7 11.0 1.0 C15 A:V67401 3.7 12.9 1.0 F14 A:V67401 3.7 14.3 1.0 C13 A:V67401 3.8 12.4 1.0 CA B:SER162 4.1 12.1 0.5 C18 B:V67401 4.1 11.1 1.0 CG B:PRO264 4.1 14.9 1.0 CA B:SER162 4.1 12.2 0.5 CB B:TYR163 4.3 11.8 1.0 C17 A:V67401 4.4 12.9 1.0 C12 A:V67401 4.5 11.7 1.0 O B:LEU159 4.6 12.7 1.0 O9 B:V67401 4.7 12.1 1.0 OG B:SER162 4.8 15.9 0.5 N10 B:V67401 4.8 11.7 1.0 CD1 B:TYR163 4.9 10.9 1.0 C B:TYR163 5.0 12.0 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Human Sting Ctd Complex with Sr-717


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Sting Ctd Complex with Sr-717 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:13.6 occ:1.00 F16 B:V67401 0.0 13.6 1.0 C15 B:V67401 1.3 12.4 1.0 C13 B:V67401 2.4 12.5 1.0 C17 B:V67401 2.4 12.1 1.0 F14 B:V67401 2.8 13.5 1.0 O A:HOH508 3.2 25.5 1.0 O B:SER162 3.5 12.2 0.5 CB B:SER162 3.6 12.5 0.5 C12 B:V67401 3.6 11.6 1.0 C18 B:V67401 3.6 11.1 1.0 CG A:PRO264 3.7 12.3 1.0 CB B:SER162 3.7 12.1 0.5 F14 A:V67401 3.7 14.3 1.0 CA A:PRO264 3.9 12.1 1.0 O B:SER162 3.9 11.1 0.5 OG B:SER162 4.0 14.7 0.5 CB A:PRO264 4.0 13.3 1.0 C B:SER162 4.1 11.1 0.5 C13 A:V67401 4.1 12.4 1.0 C11 B:V67401 4.2 11.4 1.0 N A:PRO264 4.2 10.9 1.0 C B:SER162 4.2 10.8 0.5 OG B:SER162 4.3 15.9 0.5 C12 A:V67401 4.3 11.7 1.0 CA B:SER162 4.3 12.1 0.5 CA B:SER162 4.3 12.2 0.5 OG1 A:THR263 4.4 15.2 1.0 O B:HOH514 4.4 22.7 1.0 CD A:PRO264 4.5 12.0 1.0 OG1 A:THR267 4.6 18.8 1.0 C A:THR263 4.7 12.3 1.0 CA B:GLY166 4.7 12.5 1.0 O A:THR263 4.8 11.3 1.0 C19 B:V67401 4.8 11.9 1.0 O21 B:V67401 4.9 14.0 1.0 C15 A:V67401 4.9 12.9 1.0

E.N.Chin, C.Yu, V.F.Vartabedian, Y.Jia, M.Kumar, A.M.Gamo, W.Vernier, S.H.Ali, M.Kissai, D.C.Lazar, N.Nguyen, L.E.Pereira, B.Benish, A.K.Woods, S.B.Joseph, A.Chu, K.A.Johnson, P.N.Sander, F.Martinez-Pena, E.N.Hampton, T.S.Young, D.W.Wolan, A.K.Chatterjee, P.G.Schultz, H.M.Petrassi, J.R.Teijaro, L.L.Lairson. Antitumor Activity of A Systemic Sting-Activating Non-Nucleotide Cgamp Mimetic. Science V. 369 993 2020.
ISSN: ESSN 1095-9203
PubMed: 32820126
DOI: 10.1126/SCIENCE.ABB4255