Fluorine in PDB 6t4t: Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26, PDB code: 6t4t was solved by R.M.J.M.De Vries, F.A.Meijer, L.Brunsveld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.26 / 1.62
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.501, 108.501, 99.286, 90.00, 90.00, 120.00
R / Rfree (%)	13.3 / 17.4

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26 (pdb code 6t4t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26, PDB code: 6t4t:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:24.6 occ:1.00 F1 A:L3E803 0.0 24.6 1.0 C15 A:L3E803 1.3 23.7 1.0 F2 A:L3E803 2.2 24.6 1.0 F3 A:L3E803 2.2 26.4 1.0 C14 A:L3E803 2.4 20.0 1.0 C8 A:L3E803 2.8 18.7 1.0 C9 A:L3E803 2.9 19.2 1.0 C7 A:L3E803 3.3 18.7 1.0 N2 A:L3E803 3.3 21.1 1.0 NE2 A:GLN484 3.4 21.8 0.7 C13 A:L3E803 3.5 20.8 1.0 CB A:LEU505 3.6 20.4 1.0 O A:LEU505 3.6 24.0 1.0 CD1 A:LEU505 3.7 24.4 1.0 C6 A:L3E803 3.7 24.0 1.0 CZ A:PHE506 3.8 23.6 1.0 CG A:LEU505 4.0 21.5 1.0 CD A:GLN484 4.0 21.3 0.7 C16 A:L3E803 4.0 18.5 1.0 CE1 A:PHE506 4.0 25.1 1.0 O3 A:L3E803 4.0 21.5 1.0 CG A:GLN484 4.1 21.6 0.3 CE2 A:PHE506 4.1 24.4 1.0 C A:LEU505 4.1 21.1 1.0 OE1 A:GLN484 4.1 20.6 0.3 C10 A:L3E803 4.2 20.4 1.0 CA A:LEU505 4.4 19.6 1.0 OE1 A:GLN484 4.4 24.8 0.7 CD1 A:PHE506 4.4 25.1 1.0 CD2 A:PHE506 4.5 24.2 1.0 CD A:GLN484 4.5 19.9 0.3 C12 A:L3E803 4.6 20.5 1.0 CG A:PHE506 4.7 23.2 1.0 O A:HOH903 4.7 40.7 1.0 N1 A:L3E803 4.8 27.4 1.0 CG A:GLN484 4.9 22.9 0.7 C11 A:L3E803 4.9 21.7 1.0 N A:PHE506 5.0 23.7 1.0

Fluorine binding site 2 out of 3 in the Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:24.6 occ:1.00 F2 A:L3E803 0.0 24.6 1.0 C15 A:L3E803 1.4 23.7 1.0 F1 A:L3E803 2.2 24.6 1.0 F3 A:L3E803 2.2 26.4 1.0 C14 A:L3E803 2.4 20.0 1.0 N2 A:L3E803 3.0 21.1 1.0 CG A:GLN484 3.0 21.6 0.3 C9 A:L3E803 3.1 19.2 1.0 C8 A:L3E803 3.2 18.7 1.0 C13 A:L3E803 3.4 20.8 1.0 NE2 A:GLN484 3.4 21.8 0.7 CD A:GLN484 3.5 21.3 0.7 CB A:LEU483 3.5 18.9 1.0 CG A:GLN484 3.6 22.9 0.7 N A:GLN484 3.7 20.6 1.0 CD A:GLN484 3.8 19.9 0.3 O A:VAL480 3.9 24.1 1.0 CG1 A:VAL480 3.9 22.5 1.0 C A:LEU483 3.9 19.6 1.0 O3 A:L3E803 4.0 21.5 1.0 OE1 A:GLN484 4.0 24.8 0.7 OE1 A:GLN484 4.1 20.6 0.3 CA A:GLN484 4.1 21.3 0.3 CB A:GLN484 4.1 21.6 0.3 CA A:GLN484 4.2 22.2 0.7 C7 A:L3E803 4.3 18.7 1.0 CA A:LEU483 4.3 18.9 1.0 C10 A:L3E803 4.4 20.4 1.0 CD1 A:LEU483 4.4 19.7 1.0 O A:LEU483 4.4 20.8 1.0 CB A:GLN484 4.5 23.4 0.7 C12 A:L3E803 4.6 20.5 1.0 CG A:LEU483 4.6 19.2 1.0 C16 A:L3E803 4.6 18.5 1.0 C A:VAL480 4.7 21.4 1.0 CD1 A:LEU505 4.7 24.4 1.0 NE2 A:GLN484 4.7 15.5 0.3 CA A:VAL480 4.8 20.5 1.0 CB A:VAL480 4.9 21.9 1.0 C11 A:L3E803 5.0 21.7 1.0

Fluorine binding site 3 out of 3 in the Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:26.4 occ:1.00 F3 A:L3E803 0.0 26.4 1.0 C15 A:L3E803 1.3 23.7 1.0 F1 A:L3E803 2.2 24.6 1.0 F2 A:L3E803 2.2 24.6 1.0 C14 A:L3E803 2.3 20.0 1.0 C13 A:L3E803 2.6 20.8 1.0 OE1 A:GLN484 3.3 24.8 0.7 CG A:GLN484 3.4 21.6 0.3 CD A:GLN484 3.4 21.3 0.7 NE2 A:GLN484 3.5 21.8 0.7 C9 A:L3E803 3.6 19.2 1.0 CE1 A:PHE506 3.6 25.1 1.0 O A:HOH903 3.6 40.7 1.0 CB A:GLN487 3.8 23.3 1.0 CG A:GLN487 4.0 24.9 1.0 C12 A:L3E803 4.0 20.5 1.0 CA A:GLN484 4.0 21.3 0.3 CD1 A:PHE506 4.0 25.1 1.0 O A:LEU483 4.1 20.8 1.0 CZ A:PHE506 4.1 23.6 1.0 CA A:GLN484 4.1 22.2 0.7 O A:LEU505 4.1 24.0 1.0 N A:GLN484 4.3 20.6 1.0 C A:LEU483 4.3 19.6 1.0 CG A:GLN484 4.3 22.9 0.7 C8 A:L3E803 4.3 18.7 1.0 CB A:GLN484 4.3 21.6 0.3 CD A:GLN484 4.4 19.9 0.3 OE1 A:GLN484 4.4 20.6 0.3 N2 A:L3E803 4.6 21.1 1.0 CB A:LEU483 4.6 18.9 1.0 C10 A:L3E803 4.7 20.4 1.0 CB A:GLN484 4.8 23.4 0.7 C11 A:L3E803 4.9 21.7 1.0 CG A:PHE506 4.9 23.2 1.0 CD A:GLN487 4.9 28.9 1.0 CE2 A:PHE506 4.9 24.4 1.0

R.M.J.M.De Vries, F.A.Meijer, R.G.Doveston, L.Brunsveld. Ror(Gamma)T Ligand Binding Domain in Complex with 20-Alpha-Hydroxycholesterol and Allosteric Ligand FM26 To Be Published.