Chlorine in PDB 8oo5: Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13

All present enzymatic activity of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13:
2.7.11.1;

The structure of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13, PDB code: 8oo5 was solved by M.Schroeder, M.Renatus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.43 / 2.25
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.577, 81.577, 234.132, 90, 90, 120
R / Rfree (%)	18.1 / 22

The binding sites of Chlorine atom in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13 (pdb code 8oo5). 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 DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13, PDB code: 8oo5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13


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 13 within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl1401 b:45.3 occ:1.00 CL28 P:VUF1401 0.0 45.3 1.0 C15 P:VUF1401 1.8 41.9 1.0 C16 P:VUF1401 2.7 35.9 1.0 C14 P:VUF1401 2.7 38.1 1.0 CD1 P:ILE1262 3.4 35.5 1.0 CD2 P:LEU1313 3.7 46.4 1.0 CG P:LEU1313 3.8 46.2 1.0 CG P:ARG1225 3.9 43.4 1.0 C17 P:VUF1401 4.0 34.8 1.0 CB P:ARG1225 4.0 36.6 1.0 C13 P:VUF1401 4.0 38.0 1.0 CB P:ARG1298 4.1 39.4 1.0 CD1 P:LEU1313 4.1 46.5 1.0 CE1 P:PHE1330 4.5 37.7 1.0 O2 P:EDO1403 4.5 41.6 1.0 C12 P:VUF1401 4.5 35.2 1.0 N P:ARG1298 4.5 39.8 1.0 CA P:ARG1298 4.6 40.2 1.0 C2 P:EDO1403 4.8 45.4 1.0 CG P:ARG1298 4.8 42.2 1.0 CG1 P:ILE1262 4.9 35.7 1.0 CD P:ARG1225 4.9 52.1 1.0 CD P:ARG1298 5.0 43.5 1.0 C1 P:EDO1403 5.0 47.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13


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 DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 13 within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl1402 b:81.1 occ:1.00 CL28 P:VUF1402 0.0 81.1 1.0 C15 P:VUF1402 1.8 72.3 1.0 C14 P:VUF1402 2.7 67.7 1.0 C16 P:VUF1402 2.8 63.7 1.0 O P:LEU1117 3.1 31.6 1.0 CD2 P:LEU1117 3.3 48.1 1.0 CG P:LEU1117 3.5 45.4 1.0 C P:LEU1117 3.6 32.5 1.0 N P:TYR1131 3.7 31.5 1.0 N P:SER1130 3.9 36.7 1.0 C P:SER1130 3.9 33.6 1.0 CB P:TYR1131 4.0 35.2 1.0 C13 P:VUF1402 4.0 69.2 1.0 CB P:LEU1117 4.0 40.3 1.0 CA P:SER1130 4.1 37.0 1.0 C17 P:VUF1402 4.1 67.8 1.0 N P:LYS1118 4.1 33.2 1.0 O P:ALA1129 4.1 35.3 1.0 C P:ALA1129 4.1 36.6 1.0 CA P:LYS1118 4.2 33.9 1.0 CA P:LEU1117 4.4 33.0 1.0 C P:LYS1118 4.5 35.4 1.0 CA P:TYR1131 4.5 32.8 1.0 C12 P:VUF1402 4.5 74.1 1.0 N P:LEU1119 4.5 36.8 1.0 O P:SER1130 4.5 36.1 1.0 CB P:ALA1129 4.6 38.5 1.0 CE2 P:PHE1170 4.7 39.0 1.0 CD2 P:PHE1170 4.9 40.4 1.0 CD1 P:LEU1117 4.9 47.3 1.0

M.Schroder, M.Renatus, C.R.Thoma. Reinstating Targeted Protein Degradation with DCAF1 Protacs in Crbn Protac Resistant Settings Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.04.09.536153