Chlorine in PDB 8dyh: IL17A Homodimer Bound to Compound 6

The structure of IL17A Homodimer Bound to Compound 6, PDB code: 8dyh was solved by M.A.Argiriadi, E.R.Goedken, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.84 / 1.94
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	170.516, 35.71, 45.715, 90, 97.79, 90
R / Rfree (%)	21.2 / 24.8

The binding sites of Chlorine atom in the IL17A Homodimer Bound to Compound 6 (pdb code 8dyh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the IL17A Homodimer Bound to Compound 6, PDB code: 8dyh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the IL17A Homodimer Bound to Compound 6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of IL17A Homodimer Bound to Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:32.9 occ:1.00 CL25 A:U5X201 0.0 32.9 1.0 C12 A:U5X201 1.7 26.7 1.0 N13 A:U5X201 2.6 27.6 1.0 C11 A:U5X201 2.7 24.2 1.0 H41 A:U5X201 2.9 29.9 1.0 C15 A:U5X201 3.1 24.6 1.0 C24 A:U5X201 3.2 24.9 1.0 O B:HOH310 3.3 35.9 1.0 C20 A:U5X201 3.4 25.8 1.0 O A:HOH318 3.5 31.1 1.0 C14 A:U5X201 3.8 25.4 1.0 C10 A:U5X201 4.0 24.7 1.0 SD B:MET110 4.0 24.1 1.0 C16 A:U5X201 4.0 23.4 1.0 C23 A:U5X201 4.2 26.6 1.0 OG1 B:THR148 4.3 26.0 1.0 O B:HOH304 4.3 26.0 1.0 H36 A:U5X201 4.4 28.0 1.0 C9 A:U5X201 4.4 22.3 1.0 CB B:THR148 4.4 20.9 1.0 C19 A:U5X201 4.5 25.8 1.0 CE B:MET110 4.6 18.0 1.0 H40 A:U5X201 4.6 31.9 1.0 H35 A:U5X201 4.6 30.4 1.0 O A:ALA102 4.8 27.9 1.0 H34 A:U5X201 4.8 29.6 1.0 C17 A:U5X201 5.0 23.0 1.0

Chlorine binding site 2 out of 2 in the IL17A Homodimer Bound to Compound 6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of IL17A Homodimer Bound to Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:25.9 occ:1.00 CL25 B:U5X202 0.0 25.9 1.0 C12 B:U5X202 1.7 19.4 1.0 N13 B:U5X202 2.5 20.0 1.0 C11 B:U5X202 2.7 19.5 1.0 H41 B:U5X202 2.8 22.6 1.0 C15 B:U5X202 3.1 18.3 1.0 OG1 A:THR148 3.1 23.5 1.0 C24 B:U5X202 3.3 18.9 1.0 C20 B:U5X202 3.4 19.4 1.0 O B:HOH315 3.5 32.8 1.0 CB A:THR148 3.7 20.5 1.0 C14 B:U5X202 3.8 20.0 1.0 C10 B:U5X202 3.9 18.1 1.0 O B:HOH312 3.9 32.4 1.0 C16 B:U5X202 4.0 17.8 1.0 C23 B:U5X202 4.3 21.2 1.0 SD A:MET110 4.3 22.1 1.0 H36 B:U5X202 4.3 21.3 1.0 C9 B:U5X202 4.4 18.9 1.0 C19 B:U5X202 4.5 18.0 1.0 CG2 A:THR148 4.5 15.4 1.0 H35 B:U5X202 4.6 23.9 1.0 H40 B:U5X202 4.7 25.4 1.0 CE A:MET110 4.8 23.3 1.0 H34 B:U5X202 4.8 21.7 1.0 CA A:THR148 4.8 19.7 1.0 O B:ALA102 4.9 19.9 1.0 C17 B:U5X202 4.9 17.4 1.0

E.R.Goedken, M.A.Argiriadi, J.D.Dietrich, A.M.Petros, N.Krishnan, S.C.Panchal, W.Qiu, H.Wu, H.Zhu, A.M.Adams, P.M.Bodelle, L.Goguen, P.L.Richardson, P.F.Slivka, M.Srikumaran, A.K.Upadhyay, B.Wu, R.A.Judge, A.Vasudevan, S.M.Gopalakrishnan, P.B.Cox, V.S.Stoll, C.Sun. Identification and Structure-Based Drug Design of Cell-Active Inhibitors of Interleukin 17A at A Novel C-Terminal Site. Sci Rep V. 12 14561 2022.
ISSN: ESSN 2045-2322
PubMed: 36028520
DOI: 10.1038/S41598-022-18760-1