Fluorine in PDB 6t4x: Ror(Gamma)T Ligand Binding Domain in Complex with 25- Hydroxycholesterol and Allosteric Ligand FM26

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with 25- Hydroxycholesterol and Allosteric Ligand FM26, PDB code: 6t4x 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)	94.29 / 1.48
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.880, 108.880, 98.537, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 18.5

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with 25- 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 25- Hydroxycholesterol and Allosteric Ligand FM26 (pdb code 6t4x). 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 25- Hydroxycholesterol and Allosteric Ligand FM26, PDB code: 6t4x:
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 25- 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 25- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:25.6 occ:1.00 F1 A:L3E602 0.0 25.6 1.0 C15 A:L3E602 1.3 28.3 1.0 F3 A:L3E602 2.1 23.8 1.0 F2 A:L3E602 2.1 24.8 1.0 C14 A:L3E602 2.3 21.9 1.0 C13 A:L3E602 2.7 21.8 1.0 OE1 A:GLN484 3.4 28.4 0.5 CG A:GLN484 3.4 22.7 0.5 CD A:GLN484 3.5 26.1 0.5 O A:HOH714 3.5 42.0 1.0 C9 A:L3E602 3.6 19.8 1.0 CE1 A:PHE506 3.7 25.2 1.0 NE2 A:GLN484 3.7 24.5 0.5 CA A:GLN484 3.9 21.0 0.5 CB A:GLN487 3.9 21.2 1.0 O A:LEU483 4.0 21.3 1.0 O A:LEU505 4.0 26.8 1.0 CA A:GLN484 4.0 24.0 0.5 CD1 A:PHE506 4.1 26.4 1.0 C12 A:L3E602 4.1 21.6 1.0 N A:GLN484 4.1 21.6 1.0 CZ A:PHE506 4.1 24.7 1.0 C A:LEU483 4.2 20.7 1.0 CG A:GLN487 4.2 26.7 1.0 CG A:GLN484 4.2 28.7 0.5 CB A:GLN484 4.2 21.5 0.5 C8 A:L3E602 4.3 20.9 1.0 NE2 A:GLN484 4.5 24.5 0.5 CD A:GLN484 4.5 29.2 0.5 CB A:LEU483 4.6 19.5 1.0 CB A:GLN484 4.7 24.7 0.5 N2 A:L3E602 4.7 23.3 1.0 C10 A:L3E602 4.8 22.4 1.0 CG A:PHE506 4.8 23.9 1.0 CE2 A:PHE506 4.9 24.7 1.0 C A:LEU505 4.9 26.4 1.0 C11 A:L3E602 4.9 23.6 1.0

Fluorine binding site 2 out of 3 in the Ror(Gamma)T Ligand Binding Domain in Complex with 25- 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 25- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:24.8 occ:1.00 F2 A:L3E602 0.0 24.8 1.0 C15 A:L3E602 1.3 28.3 1.0 F3 A:L3E602 2.1 23.8 1.0 F1 A:L3E602 2.1 25.6 1.0 C14 A:L3E602 2.3 21.9 1.0 N2 A:L3E602 3.0 23.3 1.0 C9 A:L3E602 3.0 19.8 1.0 CG A:GLN484 3.1 22.7 0.5 C8 A:L3E602 3.1 20.9 1.0 C13 A:L3E602 3.3 21.8 1.0 CB A:LEU483 3.4 19.5 1.0 CD A:GLN484 3.6 26.1 0.5 NE2 A:GLN484 3.6 24.5 0.5 N A:GLN484 3.7 21.6 1.0 CG A:GLN484 3.7 28.7 0.5 O A:VAL480 3.8 24.4 1.0 C A:LEU483 3.9 20.7 1.0 CG1 A:VAL480 3.9 25.4 1.0 CD A:GLN484 4.0 29.2 0.5 O3 A:L3E602 4.0 24.3 1.0 CA A:GLN484 4.1 21.0 0.5 NE2 A:GLN484 4.1 24.5 0.5 OE1 A:GLN484 4.2 28.4 0.5 CB A:GLN484 4.2 21.5 0.5 C7 A:L3E602 4.2 20.0 1.0 CA A:GLN484 4.2 24.0 0.5 CA A:LEU483 4.3 19.1 1.0 C10 A:L3E602 4.3 22.4 1.0 O A:LEU483 4.4 21.3 1.0 CD1 A:LEU483 4.4 20.8 1.0 C12 A:L3E602 4.5 21.6 1.0 CB A:GLN484 4.5 24.7 0.5 CG A:LEU483 4.6 19.7 1.0 C16 A:L3E602 4.6 21.2 1.0 C A:VAL480 4.7 23.6 1.0 CA A:VAL480 4.7 22.6 1.0 CD1 A:LEU505 4.7 27.6 1.0 O A:LEU505 4.8 26.8 1.0 CB A:VAL480 4.8 22.0 1.0 OE1 A:GLN484 4.9 25.5 0.5 C11 A:L3E602 4.9 23.6 1.0 C6 A:L3E602 5.0 28.7 1.0

Fluorine binding site 3 out of 3 in the Ror(Gamma)T Ligand Binding Domain in Complex with 25- 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 25- Hydroxycholesterol and Allosteric Ligand FM26 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:23.8 occ:1.00 F3 A:L3E602 0.0 23.8 1.0 C15 A:L3E602 1.3 28.3 1.0 F2 A:L3E602 2.1 24.8 1.0 F1 A:L3E602 2.1 25.6 1.0 C14 A:L3E602 2.3 21.9 1.0 C8 A:L3E602 2.9 20.9 1.0 C9 A:L3E602 2.9 19.8 1.0 C7 A:L3E602 3.3 20.0 1.0 C13 A:L3E602 3.5 21.8 1.0 N2 A:L3E602 3.5 23.3 1.0 C6 A:L3E602 3.5 28.7 1.0 O A:LEU505 3.5 26.8 1.0 CB A:LEU505 3.6 21.9 1.0 NE2 A:GLN484 3.6 24.5 0.5 CD1 A:LEU505 3.8 27.6 1.0 CZ A:PHE506 3.8 24.7 1.0 CG A:LEU505 4.0 24.0 1.0 CE1 A:PHE506 4.0 25.2 1.0 C16 A:L3E602 4.0 21.2 1.0 CE2 A:PHE506 4.0 24.7 1.0 C A:LEU505 4.1 26.4 1.0 CG A:GLN484 4.1 22.7 0.5 CD A:GLN484 4.1 26.1 0.5 O3 A:L3E602 4.1 24.3 1.0 NE2 A:GLN484 4.2 24.5 0.5 C10 A:L3E602 4.3 22.4 1.0 CA A:LEU505 4.3 22.0 1.0 CD1 A:PHE506 4.4 26.4 1.0 CD2 A:PHE506 4.4 26.6 1.0 OE1 A:GLN484 4.5 28.4 0.5 O A:HOH714 4.6 42.0 1.0 CG A:PHE506 4.6 23.9 1.0 C12 A:L3E602 4.7 21.6 1.0 CD A:GLN484 4.7 29.2 0.5 N1 A:L3E602 4.8 29.3 1.0 CG A:GLN484 4.9 28.7 0.5 N A:PHE506 4.9 26.8 1.0 C11 A:L3E602 5.0 23.6 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 25-Hydroxycholesterol and Allosteric Ligand FM26 To Be Published.