› 7wvk

X-ray diffraction
1.42Å resolution

Crystal structure of human WDR5 in complex with compound 19

Released:
DOI: 10.2210/pdb7wvk/pdb
PDB entry 7wvk coloured by chain, front view.
PDB entry 7wvk coloured by chain, side view.
PDB entry 7wvk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Han QL, Zhang XL, Ren PX, Mei LH, Lin WH, Wang L, Cao Y, Li K, Bai F
Acta Pharmacol Sin (2022)
PMID: 36207403

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 Chain: A
Molecule details ›
Chain: A
Length: 313 amino acids
Theoretical weight: 34.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P61964 (Residues: 22-334; Coverage: 94%)
Gene names: BIG3, WDR5
Sequence domains: WD domain, G-beta repeat

Ligands and Environments

3 bound ligands:
Ligand 6IQ 1 x 6IQ
Ligand GOL 4 x GOL
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: C2221
Unit cell:
a: 78.33Å b: 98.38Å c: 79.806Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.182
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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Citations

1 review citation

WD Repeat Domain 5 Inhibitors for Cancer Therapy: Not What You Think.
Weissmiller et al. (2024)
3 other articles