Chlorine in PDB 6dya: WDR5 in Complex with A Win Site Inhibitor

The structure of WDR5 in Complex with A Win Site Inhibitor, PDB code: 6dya was solved by J.Phan, F.Wang, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.40 / 2.56
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.909, 86.793, 41.985, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23

The binding sites of Chlorine atom in the WDR5 in Complex with A Win Site Inhibitor (pdb code 6dya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the WDR5 in Complex with A Win Site Inhibitor, PDB code: 6dya:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the WDR5 in Complex with A Win Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of WDR5 in Complex with A Win Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:76.3 occ:1.00 CL2 A:HHM401 0.0 76.3 1.0 C21 A:HHM401 1.8 55.7 1.0 C22 A:HHM401 2.9 55.4 1.0 C20 A:HHM401 2.9 55.7 1.0 C11 A:HHM401 4.3 54.0 1.0 C19 A:HHM401 4.3 55.2 1.0 CE2 A:PHE149 4.4 40.5 1.0 CE2 A:TYR191 4.5 61.2 1.0 CD2 A:TYR191 4.7 60.1 1.0 CG A:PRO173 4.8 48.3 1.0 C18 A:HHM401 4.8 54.9 1.0 CZ A:PHE149 4.9 39.9 1.0 CZ A:TYR191 4.9 60.8 1.0

Chlorine binding site 2 out of 2 in the WDR5 in Complex with A Win Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of WDR5 in Complex with A Win Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:55.6 occ:1.00 CL1 A:HHM401 0.0 55.6 1.0 C19 A:HHM401 1.8 55.2 1.0 C20 A:HHM401 2.9 55.7 1.0 C18 A:HHM401 2.9 54.9 1.0 CE2 A:PHE133 3.7 38.7 1.0 CE1 A:TYR191 3.7 59.0 1.0 O A:VAL174 3.7 42.7 1.0 CD2 A:PHE133 3.8 37.1 1.0 CE1 A:PHE149 3.9 39.1 1.0 CZ A:PHE149 4.0 39.9 1.0 SG A:CYS261 4.0 42.1 1.0 CZ A:PHE133 4.1 38.8 1.0 CB A:PRO173 4.1 47.2 1.0 CD1 A:TYR191 4.2 58.0 1.0 CG A:PHE133 4.2 36.5 1.0 C11 A:HHM401 4.3 54.0 1.0 C21 A:HHM401 4.3 55.7 1.0 CA A:SER175 4.3 39.8 1.0 C A:VAL174 4.4 42.0 1.0 CB A:SER175 4.4 40.5 1.0 CE1 A:PHE133 4.5 37.1 1.0 CZ A:TYR191 4.5 60.8 1.0 CD1 A:PHE133 4.6 36.3 1.0 N A:SER175 4.7 40.5 1.0 CD1 A:PHE149 4.7 38.6 1.0 OH A:TYR191 4.7 62.9 1.0 C A:PRO173 4.8 46.0 1.0 O A:PRO173 4.8 45.6 1.0 C22 A:HHM401 4.8 55.4 1.0 CE2 A:PHE149 4.9 40.5 1.0 CB A:PHE133 5.0 35.9 1.0

E.R.Aho, J.Wang, R.D.Gogliotti, G.C.Howard, J.Phan, P.Acharya, J.D.Macdonald, K.Cheng, S.L.Lorey, B.Lu, S.Wenzel, A.M.Foshage, J.Alvarado, F.Wang, J.G.Shaw, B.Zhao, A.M.Weissmiller, L.R.Thomas, C.R.Vakoc, M.D.Hall, S.W.Hiebert, Q.Liu, S.R.Stauffer, S.W.Fesik, W.P.Tansey. Displacement of WDR5 From Chromatin By A Win Site Inhibitor with Picomolar Affinity. Cell Rep V. 26 2916 2019.
ISSN: ESSN 2211-1247
PubMed: 30865883
DOI: 10.1016/J.CELREP.2019.02.047