Fluorine in PDB 4lbd: Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961

The structure of Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961, PDB code: 4lbd was solved by B.P.Klaholz, J.-P.Renaud, A.Mitschler, 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)	5.00 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.882, 59.882, 155.958, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 28.5

The binding sites of Fluorine atom in the Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961 (pdb code 4lbd). 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 Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961, PDB code: 4lbd:

Fluorine binding site 1 out of 1 in the Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ligand-Binding Domain of the Human Retinoic Acid Receptor Gamma Bound to the Synthetic Agonist BMS961 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:30.6 occ:1.00 F1 A:9611 0.0 30.6 1.0 C1 A:9611 1.3 31.2 1.0 C6 A:9611 2.4 32.4 1.0 C2 A:9611 2.4 30.3 1.0 N6 A:9611 2.8 33.3 1.0 O23 A:9611 2.9 33.2 1.0 C23 A:9611 2.9 34.0 1.0 CA A:ALA234 3.3 31.6 1.0 CB A:ALA234 3.3 31.5 1.0 C5 A:9611 3.6 33.0 1.0 C3 A:9611 3.6 30.0 1.0 CE1 A:PHE230 3.8 35.8 1.0 N A:ALA234 3.8 31.4 1.0 C10 A:9611 3.9 31.0 1.0 CZ A:PHE230 4.1 34.9 1.0 C4 A:9611 4.1 30.1 1.0 C22 A:9611 4.1 32.7 1.0 C9 A:9611 4.3 31.0 1.0 CE2 A:PHE288 4.3 30.4 1.0 C A:LEU233 4.4 30.9 1.0 CD1 A:PHE230 4.5 34.5 1.0 CD2 A:PHE288 4.6 30.9 1.0 C A:ALA234 4.6 31.3 1.0 O A:LEU233 4.6 29.2 1.0 O A:PHE230 4.6 33.4 1.0 CG A:LEU271 4.6 25.2 1.0 CD1 A:LEU271 4.7 28.0 1.0 C7 A:9611 4.8 28.9 1.0 C11 A:9611 4.9 30.6 1.0 O A:ALA234 4.9 32.8 1.0 CB A:CYS237 4.9 30.1 1.0 O71 A:9611 5.0 28.6 1.0 CE2 A:PHE230 5.0 33.4 1.0

B.P.Klaholz, J.P.Renaud, A.Mitschler, C.Zusi, P.Chambon, H.Gronemeyer, D.Moras. Conformational Adaptation of Agonists to the Human Nuclear Receptor Rar Gamma. Nat.Struct.Biol. V. 5 199 1998.
ISSN: ISSN 1072-8368
PubMed: 9501913
DOI: 10.1038/NSB0398-199