Fluorine in PDB 7mhc: Structure of Human Sting in Complex with Mk-1454

The structure of Structure of Human Sting in Complex with Mk-1454, PDB code: 7mhc was solved by C.A.Lesburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.70 / 2.32
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.12, 72.74, 36.37, 90, 100.97, 90
R / Rfree (%)	19.2 / 22.4

The binding sites of Fluorine atom in the Structure of Human Sting in Complex with Mk-1454 (pdb code 7mhc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Human Sting in Complex with Mk-1454, PDB code: 7mhc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Human Sting in Complex with Mk-1454


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Sting in Complex with Mk-1454 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:52.5 occ:0.50 F1 A:ZEV401 0.0 52.5 0.5 C2 A:ZEV401 1.4 50.9 0.5 O8 A:ZEV401 2.0 46.1 0.5 H1 A:ZEV401 2.0 51.5 0.5 C3 A:ZEV401 2.4 47.3 0.5 C1 A:ZEV401 2.4 49.1 0.5 N A:ZEV401 2.5 45.2 0.5 H A:ZEV401 2.6 49.2 0.5 C4 A:ZEV401 2.7 46.2 0.5 N3 A:ZEV401 2.8 49.0 0.5 P A:ZEV401 2.8 54.5 0.5 O1 A:ZEV401 2.9 52.9 0.5 H2 A:ZEV401 2.9 47.7 0.5 C6 A:ZEV401 3.4 42.7 0.5 O2 A:ZEV401 3.5 48.1 0.5 NH1 A:ARG238 3.5 39.9 1.0 C9 A:ZEV401 3.6 46.4 0.5 C5 A:ZEV401 3.7 43.5 0.5 NH2 A:ARG238 3.8 37.7 1.0 C8 A:ZEV401 3.8 48.3 0.5 S A:ZEV401 3.9 56.5 0.5 H11 A:ZEV401 3.9 42.0 0.5 H3 A:ZEV401 4.0 46.8 0.5 N1 A:ZEV401 4.0 42.7 0.5 O A:ZEV401 4.1 52.5 0.5 CZ A:ARG238 4.1 52.1 1.0 H17 A:ZEV401 4.1 36.4 0.5 H12 A:ZEV401 4.4 49.8 0.5 H4 A:ZEV401 4.6 42.6 0.5 C7 A:ZEV401 4.6 45.6 0.5 N2 A:ZEV401 4.6 46.5 0.5 O3 A:ZEV401 4.7 45.2 0.5 C10 A:ZEV401 4.8 43.5 0.5

Fluorine binding site 2 out of 2 in the Structure of Human Sting in Complex with Mk-1454


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Sting in Complex with Mk-1454 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:46.3 occ:0.50 F A:ZEV401 0.0 46.3 0.5 C12 A:ZEV401 1.4 45.9 0.5 H5 A:ZEV401 2.0 46.1 0.5 C11 A:ZEV401 2.4 42.4 0.5 C13 A:ZEV401 2.5 47.2 0.5 H6 A:ZEV401 2.6 47.0 0.5 O4 A:ZEV401 2.6 42.9 0.5 CG A:PRO264 3.0 53.0 1.0 C14 A:ZEV401 3.0 41.5 0.5 H7 A:ZEV401 3.0 41.1 0.5 O5 A:ZEV401 3.1 45.6 0.5 H4 A:ZEV401 3.3 42.6 0.5 CD A:PRO264 3.5 48.7 1.0 H16 A:ZEV401 3.6 42.1 0.5 C A:ZEV401 3.8 50.1 0.5 H9 A:ZEV401 3.9 50.0 0.5 OG A:SER162 3.9 63.4 1.0 CD1 A:TYR163 4.0 44.4 1.0 CB A:PRO264 4.0 50.3 1.0 P1 A:ZEV401 4.0 49.2 0.5 N A:PRO264 4.2 49.4 1.0 CB A:TYR163 4.2 43.0 1.0 CA A:TYR163 4.3 43.2 1.0 O A:ZEV401 4.4 52.5 0.5 O3 A:ZEV401 4.4 45.2 0.5 N5 A:ZEV401 4.4 38.2 0.5 C10 A:ZEV401 4.4 43.5 0.5 CA A:PRO264 4.5 49.4 1.0 N A:TYR163 4.5 43.7 1.0 CG A:TYR163 4.6 44.0 1.0 H10 A:ZEV401 4.6 50.3 0.5 S1 A:ZEV401 4.6 52.0 0.5 O A:LEU159 4.8 46.4 1.0 O1 A:ZEV401 4.9 52.9 0.5 CE1 A:TYR163 5.0 42.9 1.0 C A:SER162 5.0 47.7 1.0

J.A.Mcintosh, Z.Liu, B.M.Andresen, N.S.Marzijarani, J.C.Moore, N.M.Marshall, M.Borra-Garske, J.V.Obligacion, P.S.Fier, F.Peng, J.H.Forstater, M.S.Winston, C.An, W.Chang, J.Lim, M.A.Huffman, S.P.Miller, F.R.Tsay, M.D.Altman, C.A.Lesburg, D.Steinhuebel, B.W.Trotter, J.N.Cumming, A.Northrup, X.Bu, B.F.Mann, M.Biba, K.Hiraga, G.S.Murphy, J.N.Kolev, A.Makarewicz, W.Pan, I.Farasat, R.S.Bade, K.Stone, D.Duan, O.Alvizo, D.Adpressa, E.Guetschow, E.Hoyt, E.L.Regalado, S.Castro, N.Rivera, J.P.Smith, F.Wang, A.Crespo, D.Verma, S.Axnanda, Z.E.X.Dance, P.N.Devine, D.Tschaen, K.A.Canada, P.G.Bulger, B.D.Sherry, M.D.Truppo, R.T.Ruck, L.C.Campeau, D.J.Bennett, G.R.Humphrey, K.R.Campos, M.L.Maddess. A Kinase-Cgas Cascade to Synthesize A Therapeutic Sting Activator. Nature V. 603 439 2022.
ISSN: ESSN 1476-4687
PubMed: 35296845
DOI: 10.1038/S41586-022-04422-9