Fluorine in PDB 4uda: Mr in Complex with Dexamethasone

All present enzymatic activity of Mr in Complex with Dexamethasone:
2.3.1.48;

The structure of Mr in Complex with Dexamethasone, PDB code: 4uda 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)	40.70 / 2.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.000, 81.400, 45.230, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 24

The binding sites of Fluorine atom in the Mr in Complex with Dexamethasone (pdb code 4uda). 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 Mr in Complex with Dexamethasone, PDB code: 4uda:

Fluorine binding site 1 out of 1 in the Mr 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 Mr in Complex with Dexamethasone within 5.0Å range: probe atom residue distance (Å) B Occ A:F1985 b:21.7 occ:1.00 F1 A:DEX1985 0.0 21.7 1.0 C9 A:DEX1985 1.4 22.4 1.0 C11 A:DEX1985 2.3 21.0 1.0 C8 A:DEX1985 2.3 23.3 1.0 C10 A:DEX1985 2.4 21.1 1.0 C5 A:DEX1985 2.8 21.2 1.0 C7 A:DEX1985 2.8 22.1 1.0 C1 A:DEX1985 2.9 20.5 1.0 C12 A:DEX1985 3.0 20.1 1.0 C14 A:DEX1985 3.0 23.2 1.0 C6 A:DEX1985 3.3 21.0 1.0 CE1 A:PHE829 3.4 23.6 1.0 C4 A:DEX1985 3.5 19.2 1.0 O2 A:DEX1985 3.6 17.9 1.0 C13 A:DEX1985 3.6 23.5 1.0 C2 A:DEX1985 3.6 19.1 1.0 C19 A:DEX1985 3.8 20.6 1.0 C3 A:DEX1985 4.0 19.5 1.0 CD1 A:PHE829 4.0 21.5 1.0 CD1 A:LEU769 4.0 19.7 1.0 CB A:LEU769 4.0 16.1 1.0 CZ A:PHE829 4.3 21.7 1.0 C15 A:DEX1985 4.4 22.4 1.0 CG A:LEU769 4.5 19.9 1.0 CE A:MET845 4.6 22.5 1.0 O3 A:DEX1985 4.6 23.0 1.0 C18 A:DEX1985 4.6 23.7 1.0 C17 A:DEX1985 4.7 24.7 1.0 CD2 A:LEU769 4.8 20.2 1.0 CE A:MET852 5.0 18.3 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