Fluorine in PDB 4udc: Gr in Complex with Dexamethasone

The structure of Gr in Complex with Dexamethasone, PDB code: 4udc was solved by K.Edman, A.Hogner, A.Hussein, M.Bjursell, A.Aagaard, S.Backstrom, C.Bodin, L.Wissler, T.Jellesmark-Jensen, A.Cavallin, U.Karlsson, E.Nilsson, D.Lecina, R.Takahashi, C.Grebner, M.Lepisto, V.Guallar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.81 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.660, 84.660, 105.910, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 25.3

The binding sites of Fluorine atom in the Gr in Complex with Dexamethasone (pdb code 4udc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Gr in Complex with Dexamethasone, PDB code: 4udc:

Fluorine binding site 1 out of 1 in the Gr in Complex with Dexamethasone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Gr in Complex with Dexamethasone within 5.0Å range: probe atom residue distance (Å) B Occ A:F1778 b:36.6 occ:1.00 F1 A:DEX1778 0.0 36.6 1.0 C9 A:DEX1778 1.4 34.1 1.0 C11 A:DEX1778 2.4 34.5 1.0 C8 A:DEX1778 2.4 33.9 1.0 C10 A:DEX1778 2.4 32.8 1.0 C5 A:DEX1778 2.7 34.1 1.0 C7 A:DEX1778 2.8 34.1 1.0 C1 A:DEX1778 2.9 33.4 1.0 C14 A:DEX1778 2.9 33.9 1.0 C12 A:DEX1778 3.0 33.5 1.0 C6 A:DEX1778 3.4 33.2 1.0 C4 A:DEX1778 3.4 32.7 1.0 C2 A:DEX1778 3.5 33.4 1.0 CE1 A:PHE623 3.6 36.4 1.0 O2 A:DEX1778 3.6 35.9 1.0 C13 A:DEX1778 3.6 34.2 1.0 C3 A:DEX1778 3.8 35.1 1.0 C19 A:DEX1778 3.8 25.8 1.0 CD1 A:LEU563 3.9 35.6 1.0 CB A:LEU563 4.0 32.0 1.0 CD1 A:PHE623 4.1 36.6 1.0 C15 A:DEX1778 4.4 35.4 1.0 CG A:LEU563 4.4 36.0 1.0 CZ A:PHE623 4.5 35.1 1.0 SD A:MET646 4.5 53.9 1.0 O3 A:DEX1778 4.5 38.3 1.0 C17 A:DEX1778 4.7 35.8 1.0 C18 A:DEX1778 4.7 32.1 1.0 CD2 A:LEU563 4.7 35.9 1.0 O A:LEU563 4.8 35.6 1.0 O1 A:DEX1778 4.8 39.5 1.0

K.Edman, A.Hosseini, M.K.Bjursell, A.Aagaard, L.Wissler, A.Gunnarsson, T.Kaminski, C.Kohler, S.Backstrom, T.J.Jensen, A.Cavallin, U.Karlsson, E.Nilsson, D.Lecina, R.Takahashi, C.Grebner, S.Geschwindner, M.Lepisto, A.C.Hogner, V.Guallar. Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure V. 23 2280 2015.
ISSN: ISSN 0969-2126
PubMed: 26602186
DOI: 10.1016/J.STR.2015.09.012