Chlorine in PDB 5k6e: Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919

The structure of Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919, PDB code: 5k6e was solved by J.Lu, F.Rastinejad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.16 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	117.667, 139.930, 120.048, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.9

The structure of Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919 (pdb code 5k6e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919, PDB code: 5k6e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:46.4 occ:1.00 CL A:6QP601 0.0 46.4 1.0 C27 A:6QP601 1.7 37.7 1.0 C29 A:6QP601 2.7 28.5 1.0 C26 A:6QP601 2.7 32.0 1.0 C02 A:6QP601 3.1 22.8 1.0 O01 A:6QP601 3.5 38.4 1.0 N A:ALA321 3.5 13.5 1.0 CB A:CYS320 3.6 12.3 1.0 C A:CYS320 3.6 18.2 1.0 CA A:ALA321 3.7 11.0 1.0 N03 A:6QP601 3.8 23.3 1.0 O A:CYS320 3.9 15.2 1.0 C30 A:6QP601 4.0 29.1 1.0 C32 A:6QP601 4.0 33.9 1.0 CB A:ALA321 4.2 11.4 1.0 CA A:CYS320 4.2 18.6 1.0 CD2 A:LEU324 4.4 11.3 1.0 O A:TRP317 4.5 14.2 1.0 C31 A:6QP601 4.5 28.9 1.0 CB A:LEU324 4.8 18.6 1.0 C04 A:6QP601 4.8 33.7 1.0 CE3 A:TRP317 4.9 17.2 1.0 C05 A:6QP601 5.0 26.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:70.8 occ:1.00 CL B:6QP601 0.0 70.8 1.0 C27 B:6QP601 1.7 47.1 1.0 C29 B:6QP601 2.7 29.9 1.0 C26 B:6QP601 2.7 40.9 1.0 C02 B:6QP601 3.1 40.0 1.0 C B:CYS320 3.3 33.4 1.0 N B:ALA321 3.3 27.2 1.0 O B:CYS320 3.4 32.4 1.0 O01 B:6QP601 3.5 54.4 1.0 CB B:CYS320 3.5 16.9 1.0 CA B:ALA321 3.6 25.0 1.0 N03 B:6QP601 3.8 36.2 1.0 C30 B:6QP601 4.0 36.9 1.0 C32 B:6QP601 4.0 31.6 1.0 CA B:CYS320 4.1 25.4 1.0 CD2 B:LEU324 4.2 17.3 1.0 CB B:ALA321 4.3 30.4 1.0 CB B:LEU324 4.3 21.2 1.0 O B:TRP317 4.3 35.4 1.0 C31 B:6QP601 4.5 37.2 1.0 CD2 B:LEU483 4.6 27.0 1.0 CE1 B:HIS479 4.7 31.1 1.0 C B:ALA321 4.8 27.5 1.0 C04 B:6QP601 4.8 41.6 1.0 CG B:LEU324 4.9 17.6 1.0

J.Lu, F.Rastinejad. Crystal Structure of Retinoic Acid Receptor-Related Orphan Receptor (Ror) Gamma Ligand Binding Domain Complex with SBI0654919 To Be Published.