Chlorine in PDB 4qqe: Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345

The structure of Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345, PDB code: 4qqe was solved by A.Dong, L.Dombrovski, A.Wernimont, D.Smil, M.Getlik, G.Senisterra, G.Poda, R.Al-Awar, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown, M.Schapira, M.Vedadi, H.Wu, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.896, 85.267, 40.209, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.8

The structure of Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345 (pdb code 4qqe). 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 Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345, PDB code: 4qqe:

Chlorine binding site 1 out of 1 in the Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345


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 WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:30.1 occ:1.00 N A:THR82 3.3 20.2 1.0 CA A:LYS81 3.8 20.0 1.0 C A:LYS81 4.1 19.9 1.0 CB A:LYS81 4.1 20.5 1.0 CB A:THR82 4.1 20.6 1.0 CA A:THR82 4.2 20.5 1.0 O A:THR82 4.3 19.1 1.0 CZ A:PHE79 4.4 21.1 1.0 OG1 A:THR82 4.4 21.4 1.0 CE2 A:PHE79 4.4 22.1 1.0 C A:THR82 4.8 20.7 1.0 O A:GLU80 4.9 20.6 1.0

L.Dombrovski, A.Dong, A.Wernimont, D.Smil, M.Getlik, G.Senisterra, G.Poda, R.Al-Awar, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown, M.Schapira, M.Vedadi, H.Wu. Crystal Structure of WDR5, Wd Repeat Domain 5 in Complex with Compound Sgc-Ds-Mt-0345 To Be Published.