Chlorine in PDB 6nwu: Rorgamma Ligand Binding Domain

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

Resolution Low / High (Å)	56.19 / 3.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.880, 59.880, 162.550, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 27.6

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

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Rorgamma Ligand Binding Domain (pdb code 6nwu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Rorgamma Ligand Binding Domain, PDB code: 6nwu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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:60.1 occ:1.00 CLA A:L7J601 0.0 60.1 1.0 CAX A:L7J601 1.8 62.9 1.0 CAZ A:L7J601 2.8 65.5 1.0 CAW A:L7J601 2.8 63.7 1.0 CAV A:L7J601 3.1 62.9 1.0 OAU A:L7J601 3.1 62.2 1.0 N A:ALA321 3.4 41.5 1.0 CA A:ALA321 3.7 42.2 1.0 OH A:TYR502 3.7 31.3 1.0 C A:CYS320 3.8 39.9 1.0 CE2 A:TYR502 3.8 29.5 1.0 CB A:CYS320 3.8 37.0 1.0 NE2 A:HIS479 3.8 29.0 1.0 CB A:ALA321 4.0 42.3 1.0 NBA A:L7J601 4.0 66.4 1.0 CBC A:L7J601 4.0 65.8 1.0 CZ A:TYR502 4.1 30.0 1.0 CE3 A:TRP317 4.1 34.8 1.0 O A:CYS320 4.2 39.8 1.0 O A:TRP317 4.2 40.2 1.0 CZ3 A:TRP317 4.2 35.6 1.0 CAT A:L7J601 4.4 61.2 1.0 CA A:CYS320 4.4 38.6 1.0 CD2 A:HIS479 4.5 28.0 1.0 CBB A:L7J601 4.5 65.3 1.0 CD2 A:LEU324 4.7 35.6 1.0 CD2 A:TYR502 4.9 29.5 1.0 CE1 A:HIS479 4.9 28.5 1.0 CD2 A:TRP317 4.9 35.7 1.0

Chlorine binding site 2 out of 2 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 2 of Rorgamma Ligand Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:69.8 occ:1.00 CLB A:L7J601 0.0 69.8 1.0 CBC A:L7J601 1.8 65.8 1.0 CAW A:L7J601 2.7 63.7 1.0 CBB A:L7J601 2.8 65.3 1.0 CAV A:L7J601 3.1 62.9 1.0 CD1 A:ILE400 3.4 29.7 1.0 FAJ A:L7J601 3.8 58.4 1.0 CD2 A:LEU396 3.8 29.9 1.0 CD1 A:ILE397 3.9 34.0 1.0 OAU A:L7J601 3.9 62.2 1.0 FAL A:L7J601 4.0 56.0 1.0 NBA A:L7J601 4.0 66.4 1.0 CAX A:L7J601 4.0 62.9 1.0 CAS A:L7J601 4.2 61.5 1.0 CG A:LEU396 4.3 29.4 1.0 CAT A:L7J601 4.4 61.2 1.0 CD2 A:HIS479 4.5 28.0 1.0 CAZ A:L7J601 4.5 65.5 1.0 CAI A:L7J601 4.5 55.3 1.0 CD1 A:LEU396 4.9 31.2 1.0 CG1 A:ILE400 4.9 28.4 1.0 CE A:MET358 4.9 28.3 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