Chlorine in PDB 8og7: Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2

All present enzymatic activity of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2:
2.7.11.1;

The structure of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2, PDB code: 8og7 was solved by M.Schroeder, A.Vulpetti, M.Renatus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.64 / 2.64
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.75, 81.75, 235.633, 90, 90, 120
R / Rfree (%)	15.8 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2 (pdb code 8og7). 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 DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2, PDB code: 8og7:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2


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 DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1503 b:90.4 occ:1.00 CL20 A:VMR1503 0.0 90.4 1.0 C19 A:VMR1503 1.8 73.9 1.0 C17 A:VMR1503 2.7 70.8 1.0 C18 A:VMR1503 2.8 65.9 1.0 CE A:MET1109 3.1 59.7 1.0 O A:LYS1118 3.7 31.7 1.0 C A:LYS1118 3.8 33.5 1.0 CB A:LEU1117 3.8 37.4 1.0 CG A:MET1109 3.9 49.5 1.0 N A:LYS1118 4.0 31.7 1.0 C15 A:VMR1503 4.1 72.6 1.0 N A:LEU1119 4.1 35.5 1.0 CD1 A:LEU1117 4.1 48.2 1.0 C16 A:VMR1503 4.1 63.3 1.0 C A:LEU1117 4.1 33.9 1.0 CB A:LEU1119 4.2 40.5 1.0 CB A:MET1109 4.3 41.7 1.0 SD A:MET1109 4.3 56.1 1.0 CA A:LYS1118 4.3 32.5 1.0 CD1 A:LEU1119 4.4 46.6 1.0 CG A:LEU1117 4.4 44.1 1.0 O A:LEU1117 4.4 34.6 1.0 CA A:LEU1119 4.4 36.2 1.0 CA A:LEU1117 4.5 33.8 1.0 C14 A:VMR1503 4.6 75.8 1.0 CA A:MET1109 4.8 36.7 1.0 CG A:LEU1119 4.9 45.7 1.0

A.Vulpetti, P.Holzer, N.Schmiedeberg, P.Imbach-Weese, C.Pissot-Soldermann, G.J.Hollingworth, T.Radimerski, C.R.Thoma, T.M.Stachyra, M.Wojtynek, M.Maschlej, S.Chau, A.Schuffenhauer, C.Fernandez, M.Schroder, M.Renatus. Discovery of New Binders For DCAF1, An Emerging Ligase Target in the Targeted Protein Degradation Field Acs Med.Chem.Lett. 2023.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.3C00104