Chlorine in PDB 6t4k: Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871, PDB code: 6t4k 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)	93.81 / 1.89
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.317, 108.317, 108.520, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 20.5

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871 (pdb code 6t4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871, PDB code: 6t4k:

Chlorine binding site 1 out of 1 in the Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ror(Gamma)T Ligand Binding Domain in Complex with Desmosterol and Allosteric Ligand MRL871 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:51.3 occ:1.00 CL A:4F1602 0.0 51.3 1.0 C10 A:4F1602 1.7 51.8 1.0 C11 A:4F1602 2.7 44.6 1.0 C9 A:4F1602 2.7 49.1 1.0 C8 A:4F1602 3.0 54.1 1.0 N1 A:4F1602 3.3 49.9 1.0 N A:4F1602 3.3 49.9 1.0 CB A:LEU324 3.6 43.5 1.0 CE A:MET358 3.6 47.2 1.0 C A:LEU324 3.6 47.2 1.0 N A:THR325 3.7 48.4 0.4 N A:THR325 3.7 48.1 0.6 O A:LEU324 3.8 48.1 1.0 OG1 A:THR325 3.8 48.4 0.6 O2 A:4F1602 3.8 50.5 1.0 CG1 A:ILE328 3.9 48.7 1.0 CA A:THR325 4.0 51.5 0.6 C12 A:4F1602 4.0 48.4 1.0 CA A:THR325 4.0 51.3 0.4 C14 A:4F1602 4.0 55.6 1.0 CG2 A:THR325 4.1 48.5 0.4 CA A:LEU324 4.2 44.6 1.0 C7 A:4F1602 4.2 49.0 1.0 C16 A:4F1602 4.2 48.2 1.0 CD1 A:LEU483 4.4 44.3 1.0 C13 A:4F1602 4.5 52.6 1.0 CB A:THR325 4.6 51.6 0.6 O A:ALA321 4.6 44.5 1.0 CB A:THR325 4.7 51.4 0.4 C21 A:4F1602 4.8 48.9 1.0 CG A:LEU324 4.8 43.8 1.0 C3 A:4F1602 4.8 38.6 1.0 CB A:ILE328 4.8 50.0 1.0 CD1 A:ILE328 4.9 47.9 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 Desmosterol and Allosteric Ligand MRL871 To Be Published.