Fluorine in PDB 7yxr: Crystal Structure of Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment

The structure of Crystal Structure of Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment, PDB code: 7yxr 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)	54.51 / 2.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	107.899, 107.899, 134.012, 90, 90, 120
R / Rfree (%)	18.7 / 22.4

The binding sites of Fluorine atom in the Crystal Structure of Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment (pdb code 7yxr). 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 Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment, PDB code: 7yxr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Mutant ANCGR2-Lbd (Y545A) 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 Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:26.1 occ:1.00 F1 A:DEX1001 0.0 26.1 1.0 C9 A:DEX1001 1.4 24.3 1.0 C11 A:DEX1001 2.3 23.9 1.0 C8 A:DEX1001 2.3 23.9 1.0 C10 A:DEX1001 2.4 23.2 1.0 C7 A:DEX1001 2.8 23.5 1.0 C5 A:DEX1001 2.8 23.3 1.0 C14 A:DEX1001 2.8 23.9 1.0 C1 A:DEX1001 2.9 22.5 1.0 C12 A:DEX1001 2.9 24.0 1.0 C6 A:DEX1001 3.3 22.2 1.0 CE1 A:PHE623 3.4 35.2 1.0 C2 A:DEX1001 3.4 24.9 1.0 C4 A:DEX1001 3.5 25.6 1.0 C13 A:DEX1001 3.5 24.6 1.0 O2 A:DEX1001 3.6 25.7 1.0 C3 A:DEX1001 3.8 28.2 1.0 C19 A:DEX1001 3.8 21.7 1.0 CZ A:PHE623 4.2 30.4 1.0 CB A:LEU563 4.2 26.7 1.0 CD1 A:PHE623 4.2 33.1 1.0 C15 A:DEX1001 4.3 24.2 1.0 O3 A:DEX1001 4.3 27.6 1.0 CD1 A:LEU563 4.5 24.8 1.0 C17 A:DEX1001 4.6 26.0 1.0 C18 A:DEX1001 4.6 22.7 1.0 O A:LEU563 4.7 27.4 1.0 CG A:LEU563 4.7 26.2 1.0 CD2 A:LEU563 4.7 23.9 1.0 SD A:MET646 4.8 47.5 1.0 O1 A:DEX1001 4.8 33.2 1.0 C A:LEU563 5.0 26.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Mutant ANCGR2-Lbd (Y545A) 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 Mutant ANCGR2-Lbd (Y545A) Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ C:F1001 b:32.8 occ:1.00 F1 C:DEX1001 0.0 32.8 1.0 C9 C:DEX1001 1.4 29.2 1.0 C11 C:DEX1001 2.3 27.4 1.0 C8 C:DEX1001 2.4 28.9 1.0 C10 C:DEX1001 2.4 26.8 1.0 C5 C:DEX1001 2.8 26.9 1.0 C7 C:DEX1001 2.8 28.0 1.0 C1 C:DEX1001 2.9 24.7 1.0 C14 C:DEX1001 2.9 27.5 1.0 C12 C:DEX1001 2.9 27.1 1.0 CE1 C:PHE623 3.3 31.6 1.0 C6 C:DEX1001 3.3 27.0 1.0 C4 C:DEX1001 3.5 27.6 1.0 C13 C:DEX1001 3.5 28.4 1.0 O2 C:DEX1001 3.6 27.7 1.0 C2 C:DEX1001 3.6 27.3 1.0 C19 C:DEX1001 3.8 24.1 1.0 C3 C:DEX1001 3.8 27.1 1.0 CZ C:PHE623 4.0 29.4 1.0 CD1 C:PHE623 4.2 31.6 1.0 CB C:LEU563 4.3 25.6 1.0 C15 C:DEX1001 4.3 27.3 1.0 O3 C:DEX1001 4.3 30.4 1.0 SD C:MET646 4.5 41.3 1.0 CD1 C:LEU563 4.5 23.4 1.0 C17 C:DEX1001 4.6 30.1 1.0 C18 C:DEX1001 4.6 24.0 1.0 O C:LEU563 4.7 27.2 1.0 CG C:LEU563 4.8 23.9 1.0 O1 C:DEX1001 4.8 27.7 1.0 CD2 C:LEU563 4.9 21.7 1.0 CE C:MET646 5.0 39.6 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