Fluorine in PDB 8iqn: Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3

The structure of Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3, PDB code: 8iqn was solved by S.Kakuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.99 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.02, 51.434, 132.375, 90, 90, 90
R / Rfree (%)	18.1 / 20.6

The binding sites of Fluorine atom in the Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3 (pdb code 8iqn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3, PDB code: 8iqn:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:15.6 occ:1.00 F2 A:SRF501 0.0 15.6 1.0 C18 A:SRF501 1.3 14.9 1.0 F1 A:SRF501 2.2 17.4 1.0 C19 A:SRF501 2.3 12.6 1.0 C17 A:SRF501 2.3 14.4 1.0 C15 A:SRF501 2.7 15.6 1.0 O13 A:SRF501 2.7 13.6 1.0 C20 A:SRF501 2.7 13.3 1.0 CE1 A:HIS397 3.3 11.6 1.0 C16 A:SRF501 3.7 16.3 1.0 CG2 A:VAL234 3.8 11.8 1.0 CE2 A:PHE422 4.0 24.3 1.0 NE2 A:HIS397 4.0 16.0 1.0 CG1 A:VAL234 4.0 13.3 1.0 ND1 A:HIS397 4.1 15.8 1.0 CD1 A:ILE268 4.2 16.1 1.0 C22 A:SRF501 4.2 13.2 1.0 CB A:VAL234 4.3 11.9 1.0 CZ A:PHE422 4.6 22.4 1.0 CD2 A:PHE422 4.7 21.8 1.0 C14 A:SRF501 4.7 14.4 1.0 NE2 A:HIS305 4.8 15.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Human Vitamin D Receptor Ligand Binding Domain Complexed with 24,24-F2-25(Oh)D3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:17.4 occ:1.00 F1 A:SRF501 0.0 17.4 1.0 C18 A:SRF501 1.3 14.9 1.0 F2 A:SRF501 2.2 15.6 1.0 C19 A:SRF501 2.2 12.6 1.0 C17 A:SRF501 2.4 14.4 1.0 C15 A:SRF501 2.9 15.6 1.0 C16 A:SRF501 2.9 16.3 1.0 C20 A:SRF501 2.9 13.3 1.0 CG2 A:VAL234 3.3 11.8 1.0 O13 A:SRF501 3.6 13.6 1.0 CB A:VAL234 4.0 11.9 1.0 O A:LEU230 4.0 9.9 1.0 C22 A:SRF501 4.1 13.2 1.0 C A:LEU230 4.2 10.6 1.0 CB A:LEU230 4.4 11.9 1.0 CG1 A:VAL234 4.4 13.3 1.0 C24 A:SRF501 4.5 12.5 1.0 N A:ALA231 4.5 9.6 1.0 CA A:ALA231 4.6 10.3 1.0 CA A:LEU230 4.9 11.1 1.0

S.Kakuda, S.Kakuda. N/A N/A.