Fluorine in PDB 1exa: Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394.

The structure of Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394., PDB code: 1exa was solved by B.P.Klaholz, A.Mitschler, M.Belema, C.Zusi, D.Moras, Structuralproteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.59
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.672, 59.672, 155.545, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25

The binding sites of Fluorine atom in the Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394. (pdb code 1exa). 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 Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394., PDB code: 1exa:

Fluorine binding site 1 out of 1 in the Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Enantiomer Discrimination Illustrated By Crystal Structures of the Human Retinoic Acid Receptor Hrargamma Ligand Binding Domain: the Complex with the Active R-Enantiomer BMS270394. within 5.0Å range: probe atom residue distance (Å) B Occ A:F450 b:17.0 occ:1.00 F1 A:394450 0.0 17.0 1.0 C1 A:394450 1.3 16.6 1.0 C6 A:394450 2.3 16.2 1.0 C2 A:394450 2.4 17.2 1.0 N6 A:394450 2.8 16.0 1.0 O23 A:394450 2.8 16.0 1.0 C23 A:394450 3.0 16.7 1.0 CB A:ALA234 3.3 18.3 1.0 CA A:ALA234 3.3 18.4 1.0 CE1 A:PHE230 3.5 19.1 1.0 C5 A:394450 3.6 17.0 1.0 C3 A:394450 3.6 18.0 1.0 C10 A:394450 3.8 17.4 1.0 N A:ALA234 3.9 18.5 1.0 CZ A:PHE230 4.0 19.8 1.0 CE2 A:PHE288 4.1 19.5 1.0 C4 A:394450 4.2 17.3 1.0 C22 A:394450 4.2 16.3 1.0 CD2 A:LEU271 4.3 15.7 1.0 CD1 A:PHE230 4.3 19.3 1.0 C9 A:394450 4.3 16.1 1.0 CD2 A:PHE288 4.5 19.0 1.0 C A:LEU233 4.5 19.1 1.0 C11 A:394450 4.6 17.7 1.0 O A:LEU233 4.6 18.4 1.0 C A:ALA234 4.6 19.0 1.0 O A:PHE230 4.8 19.6 1.0 C7 A:394450 4.9 19.1 1.0 O A:ALA234 4.9 19.1 1.0 O22 A:394450 5.0 16.6 1.0

B.P.Klaholz, A.Mitschler, M.Belema, C.Zusi, D.Moras. Enantiomer Discrimination Illustrated By High-Resolution Crystal Structures of the Human Nuclear Receptor Hrargamma. Proc.Natl.Acad.Sci.Usa V. 97 6322 2000.
ISSN: ISSN 0027-8424
PubMed: 10841540
DOI: 10.1073/PNAS.97.12.6322