Chlorine in PDB 5eal: Crystal Structure of Human WDR5 in Complex with Compound 9H

The structure of Crystal Structure of Human WDR5 in Complex with Compound 9H, PDB code: 5eal was solved by A.Dong, L.Dombrovski, D.Smil, M.Getlik, Y.Bolshan, J.R.Walker, G.Senisterra, G.Poda, R.Al-Awar, M.Schapira, M.Vedadi, C.Bountra, A.M.Edwards, C.H.Arrowsmith, P.J.Brown, H.Wu, Structural Genomicsconsortium (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 1
Cell size a, b, c (Å), α, β, γ (°)	47.191, 60.962, 64.126, 110.67, 90.43, 109.47
R / Rfree (%)	17.9 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Human WDR5 in Complex with Compound 9H (pdb code 5eal). 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 Human WDR5 in Complex with Compound 9H, PDB code: 5eal:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human WDR5 in Complex with Compound 9H


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 9H within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:35.6 occ:1.00 O A:HOH575 3.0 22.0 1.0 O A:HOH691 3.1 21.8 1.0 NZ A:LYS221 3.1 27.5 1.0 O A:HOH522 3.2 27.7 1.0 CE A:LYS221 3.7 27.6 1.0 CZ A:PHE263 3.8 22.0 1.0 CD A:LYS52 4.0 16.6 1.0 CE1 A:PHE263 4.0 21.6 1.0 CE A:LYS52 4.0 17.2 1.0 O A:HOH688 4.3 44.3 1.0 NZ A:LYS52 4.5 17.1 1.0 O A:HOH685 4.5 14.4 1.0 O A:HOH573 4.8 21.8 1.0 OD1 A:ASN136 4.8 17.3 1.0 NE2 A:HIS178 4.9 17.9 1.0 OD1 A:ASN265 4.9 21.8 1.0 O A:HOH635 4.9 16.9 1.0 CE2 A:PHE263 4.9 20.9 1.0 CD2 A:HIS178 5.0 17.7 1.0

L.Dombrovski, A.Dong, D.Smil, M.Getlik, Y.Bolshan, J.R.Walker, G.Senisterra, G.Poda, R.Al-Awar, M.Schapira, M.Vedadi, C.Bountra, A.M.Edwards, C.H.Arrowsmith, P.J.Brown, H.Wu, Structural Genomics Consortium (Sgc). Crystal Structure of Human WDR5 in Complex with Compound 9H To Be Published.