Fluorine in PDB 8orw: Crystal Structure of Human Sting in Complex with the Agonist MD1203

The structure of Crystal Structure of Human Sting in Complex with the Agonist MD1203, PDB code: 8orw was solved by M.Klima, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.34 / 2.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.442, 78.145, 35.937, 90, 97.44, 90
R / Rfree (%)	21.9 / 24.9

The binding sites of Fluorine atom in the Crystal Structure of Human Sting in Complex with the Agonist MD1203 (pdb code 8orw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Sting in Complex with the Agonist MD1203, PDB code: 8orw:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Sting in Complex with the Agonist MD1203


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 the Agonist MD1203 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:59.9 occ:0.50 F1 A:VZ6401 0.0 59.9 0.5 C2 A:VZ6401 1.4 58.4 0.5 C40 A:VZ6401 2.4 56.1 0.5 C3 A:VZ6401 2.5 53.8 0.5 O41 A:VZ6401 2.7 52.3 0.5 C28 A:VZ6401 2.7 54.1 0.5 C29 A:VZ6401 2.8 55.3 0.5 C4 A:VZ6401 3.8 50.9 0.5 P42 A:VZ6401 4.0 54.8 0.5 O44 A:VZ6401 4.1 55.3 0.5 O11 A:VZ6401 4.2 44.9 0.5 N30 A:VZ6401 4.3 55.3 0.5 O5 A:VZ6401 4.5 49.7 0.5 C10 A:VZ6401 4.9 51.6 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Sting in Complex with the Agonist MD1203


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 in Complex with the Agonist MD1203 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:49.4 occ:0.50 F25 A:VZ6401 0.0 49.4 0.5 C24 A:VZ6401 1.4 53.7 0.5 C8 A:VZ6401 2.4 56.0 0.5 C13 A:VZ6401 2.4 53.6 0.5 O7 A:VZ6401 2.6 60.4 0.5 C9 A:VZ6401 2.9 55.8 0.5 O12 A:VZ6401 3.0 54.2 0.5 CD A:PRO264 3.2 46.1 1.0 P6 A:VZ6401 3.2 60.0 0.5 O26 A:VZ6401 3.3 55.7 0.5 CB A:THR263 3.4 48.1 1.0 CD1 A:TYR163 3.5 56.1 1.0 O27 A:VZ6401 3.5 58.6 0.5 CG A:PRO264 3.5 43.9 1.0 CE1 A:TYR163 3.6 42.9 1.0 N14 A:VZ6401 3.6 55.0 0.5 N A:PRO264 3.9 46.7 1.0 OG1 A:THR263 4.0 50.2 1.0 N19 A:VZ6401 4.3 57.0 0.5 CG2 A:THR263 4.3 50.0 1.0 CA A:THR263 4.3 49.8 1.0 C18 A:VZ6401 4.3 57.2 0.5 C A:THR263 4.4 51.5 1.0 C10 A:VZ6401 4.4 51.6 0.5 N A:THR263 4.4 43.8 1.0 O5 A:VZ6401 4.7 49.7 0.5 CG A:TYR163 4.7 57.8 1.0 C15 A:VZ6401 4.7 55.5 0.5 CB A:PRO264 4.8 53.1 1.0 CA A:PRO264 4.8 56.4 1.0 CZ A:TYR163 4.9 41.3 1.0 O11 A:VZ6401 5.0 44.9 0.5

M.Klima, V.Duchoslav, E.Boura. Crystal Structure of Human Sting in Complex with the Agonist MD1203 To Be Published.