Chlorine in PDB 5ufo: Structure of Rorgt Bound to

The structure of Structure of Rorgt Bound to, PDB code: 5ufo was solved by J.Spurlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.81 / 2.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.811, 88.811, 144.257, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 24.4

The structure of Structure of Rorgt Bound to also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Structure of Rorgt Bound to (pdb code 5ufo). 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 Structure of Rorgt Bound to, PDB code: 5ufo:

Chlorine binding site 1 out of 1 in the Structure of Rorgt Bound to


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rorgt Bound to within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:0.1 occ:1.00 CL17 A:87J601 0.0 0.1 1.0 C16 A:87J601 1.7 71.1 1.0 H411 A:87J601 2.5 80.0 1.0 C18 A:87J601 2.7 70.8 1.0 C05 A:87J601 2.7 78.5 1.0 C41 A:87J601 3.0 66.7 1.0 C06 A:87J601 3.0 81.8 1.0 H151 A:87J601 3.1 93.2 1.0 C15 A:87J601 3.2 77.7 1.0 O A:CYS320 3.7 56.1 1.0 CB A:HIS323 3.9 42.5 1.0 C07 A:87J601 3.9 86.9 1.0 C03 A:87J601 3.9 70.9 1.0 C19 A:87J601 3.9 71.2 1.0 CG A:LEU324 4.0 56.6 1.0 CB A:CYS320 4.1 38.3 1.0 C14 A:87J601 4.3 82.0 1.0 CA A:CYS320 4.3 42.3 1.0 H071 A:87J601 4.3 0.2 1.0 C22 A:87J601 4.3 68.4 1.0 N A:LEU324 4.4 38.9 1.0 H401 A:87J601 4.4 91.1 1.0 C A:CYS320 4.4 47.5 1.0 N04 A:87J601 4.5 71.7 1.0 CD1 A:LEU324 4.5 54.1 1.0 SG A:CYS320 4.6 62.9 1.0 CD2 A:LEU324 4.7 66.5 1.0 O40 A:87J601 4.7 75.9 1.0 C A:HIS323 4.8 42.6 1.0 CG A:HIS323 4.8 55.7 1.0 C08 A:87J601 4.8 85.7 1.0 H141 A:87J601 4.8 98.4 1.0 CB A:LEU324 4.8 49.1 1.0 CA A:LEU324 4.9 41.1 1.0 CE1 A:PHE378 4.9 48.2 1.0 C09 A:87J601 4.9 86.2 1.0 CA A:HIS323 4.9 44.6 1.0

D.A.Kummer, M.D.Cummings, M.Abad, J.Barbay, G.Castro, R.Wolin, K.D.Kreutter, U.Maharoof, C.Milligan, R.Nishimura, J.Pierce, C.Schalk-Hihi, J.Spurlino, M.Urbanski, H.Venkatesan, A.Wang, C.Woods, X.Xue, J.P.Edwards, A.M.Fourie, K.Leonard. Identification and Structure Activity Relationships of Quinoline Tertiary Alcohol Modulators of Ror Gamma T. Bioorg. Med. Chem. Lett. V. 27 2047 2017.
ISSN: ESSN 1464-3405
PubMed: 28318945
DOI: 10.1016/J.BMCL.2017.02.044