› 7l24

X-ray diffraction
2.68Å resolution

HPK1 IN COMPLEX WITH COMPOUND 11

Released:
DOI: 10.2210/pdb7l24/pdb
PDB entry 7l24 coloured by chain, front view.
PDB entry 7l24 coloured by chain, side view.
PDB entry 7l24 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Potent Reverse Indazole Inhibitors for HPK1.
Yu EC, Methot JL, Fradera X, Lesburg CA, Lacey BM, Siliphaivanh P, Liu P, Smith DM, Xu Z, Piesvaux JA, Kawamura S, Xu H, Miller JR, Bittinger M, Pasternak A
ACS Med Chem Lett 12 459-466 (2021)
PMID: 33738073

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187813 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase kinase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 288 amino acids
Theoretical weight: 32.34 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q92918 (Residues: 7-294; Coverage: 35%)
Gene names: HPK1, MAP4K1
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand XHV 4 x XHV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 77.874Å b: 107.669Å c: 85.971Å
α: 90° β: 107.98° γ: 90°
R-values:
R R work R free
0.227 0.226 0.272
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

The expanding role for small molecules in immuno-oncology.
Offringa et al. (2022)
1 more

2 mentions without citation

Identification of Potent Reverse Indazole Inhibitors for HPK1.
Yu et al. (2021)
1 more