Chlorine in PDB 8f93: WDR5 Covalently Modified at Y228 By (R)-2-Sf

The structure of WDR5 Covalently Modified at Y228 By (R)-2-Sf, PDB code: 8f93 was solved by J.Taunton, G.B.Craven, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.26 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.78, 103.022, 81.014, 90, 101.55, 90
R / Rfree (%)	20.3 / 25.3

The binding sites of Chlorine atom in the WDR5 Covalently Modified at Y228 By (R)-2-Sf (pdb code 8f93). 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 Covalently Modified at Y228 By (R)-2-Sf, PDB code: 8f93:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the WDR5 Covalently Modified at Y228 By (R)-2-Sf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of WDR5 Covalently Modified at Y228 By (R)-2-Sf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:79.0 occ:1.00 NZ A:LYS221 2.8 56.2 1.0 O4 A:SO4403 3.5 75.8 1.0 O A:HOH536 3.6 41.9 1.0 CE A:LYS221 3.6 39.4 1.0 O3 A:SO4403 3.6 63.8 1.0 NE2 A:HIS178 4.1 39.2 1.0 S A:SO4403 4.1 78.3 1.0 CD2 A:HIS178 4.4 32.5 1.0 O2 A:SO4403 4.8 64.8 1.0 CD A:LYS221 4.8 38.8 1.0 O A:HOH552 4.8 40.8 1.0 O A:HOH560 4.9 39.6 1.0

Chlorine binding site 2 out of 2 in the WDR5 Covalently Modified at Y228 By (R)-2-Sf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of WDR5 Covalently Modified at Y228 By (R)-2-Sf within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:65.5 occ:1.00 NZ B:LYS221 2.8 51.9 1.0 N B:PHE266 2.9 33.8 1.0 O B:HOH524 3.0 38.6 1.0 O B:PHE266 3.3 42.5 1.0 CA B:ASN265 3.5 39.7 1.0 CB B:ASN265 3.5 36.0 1.0 CE B:LYS221 3.6 39.7 1.0 CD1 B:PHE266 3.8 37.3 1.0 C B:ASN265 3.8 41.0 1.0 CA B:PHE266 3.8 31.4 1.0 O3 B:SO4405 3.8 61.8 1.0 CB B:PHE266 3.9 40.5 1.0 O1 B:SO4405 3.9 75.7 1.0 CD B:LYS221 3.9 40.1 1.0 C B:PHE266 4.0 44.3 1.0 S B:SO4405 4.2 98.9 1.0 CG B:PHE266 4.3 43.9 1.0 O2 B:SO4405 4.3 76.5 1.0 CG B:PRO224 4.5 44.2 1.0 C3 B:GOL404 4.5 59.8 1.0 ND2 B:ASN265 4.6 47.7 1.0 O1 B:GOL404 4.6 57.1 1.0 CG B:ASN265 4.6 43.7 1.0 CE1 B:PHE266 4.8 36.1 1.0 C1 B:GOL404 4.9 66.4 1.0 N B:ASN265 4.9 37.1 1.0 CD B:PRO224 4.9 40.2 1.0 O B:ALA264 4.9 43.4 1.0 CG B:LYS221 5.0 37.1 1.0 O B:ASN265 5.0 34.5 1.0

Y.Chen, G.B.Craven, R.A.Kamber, A.Cuesta, S.Zhersh, Y.S.Moroz, M.C.Bassik, J.Taunton. Direct Mapping of Ligandable Tyrosines and Lysines in Cells with Chiral Sulfonyl Fluoride Probes Nat.Chem. 2023.
ISSN: ESSN 1755-4349