› 6u5y

X-ray diffraction
1.53Å resolution

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction

Released:
DOI: 10.2210/pdb6u5y/pdb
Model geometry
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PDB entry 6u5y coloured by chain, front view.
PDB entry 6u5y coloured by chain, side view.
PDB entry 6u5y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
Macdonald JD, Chacón Simon S, Han C, Wang F, Shaw JG, Howes JE, Sai J, Yuh JP, Camper D, Alicie BM, Alvarado J, Nikhar S, Payne W, Aho ER, Bauer JA, Zhao B, Phan J, Thomas LR, Rossanese OW, Tansey WP, Waterson AG, Stauffer SR, Fesik SW
J Med Chem 62 11232-11259 (2019)
PMID: 31724864

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158474 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
WD repeat-containing protein 5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 33.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P61964 (Residues: 31-334; Coverage: 91%)
Gene names: BIG3, WDR5
Sequence domains: WD domain, G-beta repeat

Ligands and Environments

1 bound ligand:
Ligand Q0M 2 x Q0M
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 99.021Å b: 78.444Å c: 80.199Å
α: 90° β: 89.96° γ: 90°
R-values:
R R work R free
0.15 0.149 0.177
Expression system: Escherichia coli K-12

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Citations

6 review citations

MYC protein interactors in gene transcription and cancer.
Lourenco et al. (2021)
5 more

2 mentions without citation

Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
Chacón Simon et al. (2020)
1 more

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