Fluorine in PDB 7yxn: Crystal Structure of Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment

The structure of Crystal Structure of Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment, PDB code: 7yxn was solved by A.Jimenez-Panizo, E.Estebanez-Perpina, P.Fuentes-Prior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.81 / 2.46
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	109.479, 109.479, 137.781, 90, 90, 120
R / Rfree (%)	21.6 / 24.7

The binding sites of Fluorine atom in the Crystal Structure of Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment (pdb code 7yxn). 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 Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment, PDB code: 7yxn:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment


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 Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:42.4 occ:1.00 F1 A:DEX1001 0.0 42.4 1.0 C9 A:DEX1001 1.4 39.4 1.0 C11 A:DEX1001 2.3 38.4 1.0 C10 A:DEX1001 2.3 34.8 1.0 C8 A:DEX1001 2.4 41.2 1.0 C5 A:DEX1001 2.7 40.2 1.0 C1 A:DEX1001 2.7 37.3 1.0 C7 A:DEX1001 2.8 37.9 1.0 C14 A:DEX1001 2.9 42.1 1.0 C12 A:DEX1001 3.0 38.1 1.0 CE1 A:PHE623 3.1 49.0 1.0 C6 A:DEX1001 3.3 41.5 1.0 C4 A:DEX1001 3.3 42.9 1.0 C2 A:DEX1001 3.4 43.2 1.0 O2 A:DEX1001 3.6 40.7 1.0 C13 A:DEX1001 3.6 39.7 1.0 C3 A:DEX1001 3.6 44.4 1.0 C19 A:DEX1001 3.8 32.1 1.0 CD1 A:PHE623 4.0 47.8 1.0 CZ A:PHE623 4.0 45.8 1.0 CB A:LEU563 4.3 38.1 1.0 O3 A:DEX1001 4.4 46.5 1.0 C15 A:DEX1001 4.4 45.5 1.0 CD1 A:LEU563 4.4 34.8 1.0 SD A:MET646 4.5 70.5 1.0 O1 A:DEX1001 4.6 52.0 1.0 C17 A:DEX1001 4.6 43.0 1.0 C18 A:DEX1001 4.7 30.5 1.0 CG A:LEU563 4.7 34.8 1.0 CE A:MET646 4.8 61.5 1.0 O A:LEU563 4.9 39.9 1.0 CD2 A:LEU563 4.9 30.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment


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 Wt ANCGR2-Lbd Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ C:F1001 b:34.6 occ:1.00 F1 C:DEX1001 0.0 34.6 1.0 C9 C:DEX1001 1.4 36.3 1.0 C11 C:DEX1001 2.3 34.5 1.0 C8 C:DEX1001 2.4 36.7 1.0 C10 C:DEX1001 2.4 37.4 1.0 C5 C:DEX1001 2.7 36.0 1.0 C7 C:DEX1001 2.7 33.7 1.0 C1 C:DEX1001 2.9 36.2 1.0 C14 C:DEX1001 3.0 35.9 1.0 C12 C:DEX1001 3.0 38.6 1.0 CE1 C:PHE623 3.0 54.6 1.0 C6 C:DEX1001 3.2 39.7 1.0 C2 C:DEX1001 3.4 35.1 1.0 C4 C:DEX1001 3.4 32.2 1.0 O2 C:DEX1001 3.6 33.8 1.0 C13 C:DEX1001 3.6 39.5 1.0 C3 C:DEX1001 3.6 38.5 1.0 C19 C:DEX1001 3.8 31.9 1.0 CZ C:PHE623 3.9 50.8 1.0 CD1 C:PHE623 3.9 57.0 1.0 CB C:LEU563 4.3 33.1 1.0 CD1 C:LEU563 4.4 35.3 1.0 O3 C:DEX1001 4.4 39.6 1.0 C15 C:DEX1001 4.4 34.2 1.0 SD C:MET646 4.5 54.5 1.0 O1 C:DEX1001 4.5 49.2 1.0 C17 C:DEX1001 4.6 42.6 1.0 C18 C:DEX1001 4.7 31.4 1.0 CG C:LEU563 4.8 36.8 1.0 CE C:MET646 4.8 50.9 1.0 O C:LEU563 4.9 37.6 1.0 CD2 C:LEU563 5.0 31.2 1.0

A.Jimenez-Panizo, A.Alegre-Marti, T.T.Tettey, G.Fettweis, M.Abella, R.Anton, T.A.Johnson, S.Kim, R.L.Schiltz, I.Nunez-Barrios, J.Font-Diaz, C.Caelles, A.F.Valledor, P.Perez, A.M.Rojas, J.Fernandez-Recio, D.M.Presman, G.L.Hager, P.Fuentes-Prior, E.Estebanez-Perpina. The Multivalency of the Glucocorticoid Receptor Ligand-Binding Domain Explains Its Manifold Physiological Activities. Nucleic Acids Res. 2022.
ISSN: ESSN 1362-4962
PubMed: 36464162
DOI: 10.1093/NAR/GKAC1119