Chlorine in PDB 6nws: Rorgamma Ligand Binding Domain

The structure of Rorgamma Ligand Binding Domain, PDB code: 6nws was solved by T.S.Strutzenberg, H.J.Park, P.R.Griffin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.87 / 2.44
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.805, 60.805, 160.650, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 29.7

The structure of Rorgamma Ligand Binding Domain also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Rorgamma Ligand Binding Domain (pdb code 6nws). 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 Rorgamma Ligand Binding Domain, PDB code: 6nws:

Chlorine binding site 1 out of 1 in the Rorgamma Ligand Binding Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rorgamma Ligand Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:78.3 occ:1.00 CL1 A:L77601 0.0 78.3 1.0 C15 A:L77601 1.8 67.8 1.0 C21 A:L77601 2.7 63.3 1.0 C6 A:L77601 2.8 63.6 1.0 C13 A:L77601 3.0 62.5 1.0 F4 A:L77601 3.2 57.6 1.0 CD1 A:ILE397 3.3 53.9 1.0 F3 A:L77601 3.4 57.5 1.0 O1 A:L77601 3.5 59.9 1.0 CD1 A:ILE400 3.5 47.1 1.0 N1 A:L77601 3.6 66.3 1.0 NE2 A:HIS479 3.6 74.0 1.0 C22 A:L77601 3.8 58.5 1.0 C14 A:L77601 4.0 57.8 1.0 C3 A:L77601 4.0 61.5 1.0 CG1 A:ILE397 4.2 57.7 1.0 CE1 A:HIS479 4.3 75.8 1.0 F2 A:L77601 4.4 57.3 1.0 CD2 A:HIS479 4.5 76.7 1.0 C5 A:L77601 4.5 59.2 1.0 CD1 A:LEU391 4.6 45.7 1.0 C16 A:L77601 4.6 70.7 1.0 CG A:LEU396 4.7 51.0 1.0 CD2 A:LEU396 4.7 51.1 1.0 CG1 A:ILE400 5.0 47.7 1.0

T.S.Strutzenberg, R.D.Garcia-Ordonez, S.J.Novick, H.Park, M.R.Chang, C.Doebellin, Y.He, R.Patouret, T.M.Kamenecka, P.R.Griffin. Hdx-Ms Reveals Structural Determinants For Ror Gamma Hyperactivation By Synthetic Agonists. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31172947
DOI: 10.7554/ELIFE.47172