Chlorine in PDB 7wvk: Crystal Structure of Human WDR5 in Complex with Compound 19

The structure of Crystal Structure of Human WDR5 in Complex with Compound 19, PDB code: 7wvk was solved by Q.L.Han, X.L.Zhang, L.Wang, P.X.Ren, Y.Cao, K.Li, F.Bai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.87 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	78.33, 98.38, 79.806, 90, 90, 90
R / Rfree (%)	16.3 / 18.2

The binding sites of Chlorine atom in the Crystal Structure of Human WDR5 in Complex with Compound 19 (pdb code 7wvk). 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 Human WDR5 in Complex with Compound 19, PDB code: 7wvk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human WDR5 in Complex with Compound 19


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 Human WDR5 in Complex with Compound 19 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:73.3 occ:1.00 CL1 A:6IQ401 0.0 73.3 1.0 C13 A:6IQ401 1.7 52.7 1.0 O2 A:6IQ401 2.6 47.5 1.0 C12 A:6IQ401 2.7 57.2 1.0 C8 A:6IQ401 2.8 50.6 1.0 S1 A:6IQ401 3.2 48.1 1.0 C11 A:6IQ401 4.0 47.2 1.0 C9 A:6IQ401 4.1 41.4 1.0 O1 A:6IQ401 4.2 43.7 1.0 C5 A:6IQ401 4.2 54.6 1.0 CB A:PRO224 4.2 30.5 1.0 N1 A:6IQ401 4.5 53.1 1.0 C10 A:6IQ401 4.5 68.5 1.0 CG A:PRO224 4.6 30.6 1.0 C6 A:6IQ401 4.7 56.9 1.0 N A:ASN225 4.9 26.0 1.0 CB A:ASN225 4.9 30.0 1.0 CE A:LYS272 5.0 38.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human WDR5 in Complex with Compound 19


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 Human WDR5 in Complex with Compound 19 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:24.1 occ:1.00 CL2 A:6IQ401 0.0 24.1 1.0 C10 A:6IQ401 1.8 68.5 1.0 C11 A:6IQ401 2.7 47.2 1.0 C9 A:6IQ401 2.8 41.4 1.0 O A:SER267 3.1 23.0 1.0 O A:TRP273 3.3 15.8 1.0 CD1 A:LEU288 3.5 30.3 1.0 N A:SER267 3.7 15.4 1.0 CB A:PHE266 3.7 17.3 1.0 N A:TRP273 3.8 15.4 1.0 C A:SER267 3.8 20.6 1.0 CD2 A:PHE266 3.8 19.3 1.0 C12 A:6IQ401 4.0 57.2 1.0 CA A:LYS272 4.0 20.6 1.0 CA A:PHE266 4.0 15.1 1.0 C A:LYS272 4.1 18.1 1.0 CB A:LYS272 4.1 22.4 1.0 C8 A:6IQ401 4.1 50.6 1.0 C A:PHE266 4.1 19.1 1.0 CD A:LYS272 4.1 34.6 1.0 C A:TRP273 4.2 15.3 1.0 CG A:PHE266 4.3 16.7 1.0 CA A:SER267 4.4 18.0 1.0 C13 A:6IQ401 4.5 52.7 1.0 CG1 A:VAL268 4.6 33.8 1.0 CA A:TRP273 4.6 15.9 1.0 N A:VAL268 4.6 21.4 1.0 CG A:LEU288 4.7 25.5 1.0 CB A:LEU288 4.7 20.9 1.0 CA A:VAL268 4.7 27.5 1.0 CG A:LYS272 4.7 28.9 1.0 O A:LYS272 4.9 18.4 1.0 CE2 A:PHE266 5.0 18.3 1.0

Q.L.Han, X.L.Zhang, P.X.Ren, L.H.Mei, W.H.Lin, L.Wang, Y.Cao, K.Li, F.Bai. Discovery, Evaluation and Mechanism Study of WDR5-Targeted Small Molecular Inhibitors For Neuroblastoma. Acta Pharmacol.Sin. 2022.
ISSN: ESSN 1745-7254
PubMed: 36207403
DOI: 10.1038/S41401-022-00999-Z