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

The structure of Crystal Structure of Wt ANCGR2-Lbd Wt Bound to Dexamethasone and Shp Coregulator Fragment, PDB code: 7yxp 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)	72.80 / 3.36
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	178.06, 178.06, 178.06, 90, 90, 90
R / Rfree (%)	19.9 / 28.8

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

Fluorine binding site 1 out of 2 in the Crystal Structure of Wt ANCGR2-Lbd Wt 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 Wt Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:101.0 occ:1.00 F1 A:DEX1001 0.0 101.0 1.0 C9 A:DEX1001 1.4 99.1 1.0 C11 A:DEX1001 2.3 99.2 1.0 C10 A:DEX1001 2.4 98.9 1.0 C8 A:DEX1001 2.4 101.7 1.0 C5 A:DEX1001 2.7 105.7 1.0 C7 A:DEX1001 2.8 98.5 1.0 C1 A:DEX1001 2.9 107.3 1.0 C12 A:DEX1001 2.9 104.4 1.0 C14 A:DEX1001 2.9 109.4 1.0 C6 A:DEX1001 3.3 107.5 1.0 C4 A:DEX1001 3.4 106.9 1.0 O2 A:DEX1001 3.5 97.3 1.0 C13 A:DEX1001 3.5 107.2 1.0 CE1 A:PHE623 3.6 103.1 1.0 C2 A:DEX1001 3.7 118.7 1.0 C3 A:DEX1001 3.8 115.7 1.0 C19 A:DEX1001 3.8 95.7 1.0 CB A:LEU563 3.9 108.2 1.0 CD1 A:LEU563 4.0 103.1 1.0 CD1 A:PHE623 4.1 105.1 1.0 O3 A:DEX1001 4.3 115.3 1.0 C15 A:DEX1001 4.4 111.7 1.0 CG A:LEU563 4.5 106.5 1.0 C17 A:DEX1001 4.6 110.7 1.0 CZ A:PHE623 4.7 108.1 1.0 C18 A:DEX1001 4.7 98.1 1.0 SD A:MET646 4.7 140.8 1.0 O1 A:DEX1001 4.7 112.3 1.0 O A:LEU563 4.7 85.6 1.0 CD2 A:LEU563 4.8 108.8 1.0 CA A:LEU563 4.8 102.3 1.0 C A:LEU563 4.9 91.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Wt ANCGR2-Lbd Wt 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 Wt Bound to Dexamethasone and Shp Coregulator Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:110.9 occ:0.50 F1 A:DEX1002 0.0 110.9 0.5 C9 A:DEX1002 1.4 113.8 0.5 C8 A:DEX1002 2.3 105.6 0.5 C11 A:DEX1002 2.3 106.2 0.5 C10 A:DEX1002 2.4 121.1 0.5 C7 A:DEX1002 2.5 110.9 0.5 C5 A:DEX1002 2.9 129.8 0.5 C1 A:DEX1002 2.9 116.5 0.5 C6 A:DEX1002 3.0 128.0 0.5 C14 A:DEX1002 3.1 100.8 0.5 C12 A:DEX1002 3.2 101.5 0.5 O2 A:DEX1002 3.5 105.3 0.5 C13 A:DEX1002 3.8 105.2 0.5 C19 A:DEX1002 3.8 97.7 0.5 C4 A:DEX1002 3.9 123.8 0.5 C2 A:DEX1002 4.1 109.7 0.5 C15 A:DEX1002 4.5 99.5 0.5 C18 A:DEX1002 4.6 101.9 0.5 C3 A:DEX1002 4.6 117.7 0.5 CG A:LYS695 4.7 179.9 1.0 CA A:LYS695 4.8 165.0 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