› 7sse

X-ray diffraction
1.62Å resolution

Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70

Released:
DOI: 10.2210/pdb7sse/pdb
PDB entry 7sse coloured by chain, front view.
PDB entry 7sse coloured by chain, side view.
PDB entry 7sse coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
Kimani SW, Owen J, Green SR, Li F, Li Y, Dong A, Brown PJ, Ackloo S, Kuter D, Yang C, MacAskill M, MacKinnon SS, Arrowsmith CH, Schapira M, Shahani V, Halabelian L
J Chem Inf Model 63 4070-4078 (2023)
PMID: 37350740

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195229 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DDB1- and CUL4-associated factor 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 315 amino acids
Theoretical weight: 35.59 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9Y4B6 (Residues: 1077-1390; Coverage: 21%)
Gene names: DCAF1, KIAA0800, RIP, VPRBP

Ligands and Environments

1 bound ligand:
Ligand B1I 1 x B1I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 48.956Å b: 87.919Å c: 73.878Å
α: 90° β: 98.72° γ: 90°
R-values:
R R work R free
0.207 0.206 0.234
Expression system: Spodoptera frugiperda

Quick links

Citations

1 citations in other articles

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