› 7kac

X-ray diffraction
1.85Å resolution

Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}-5-(1,3,4-OXADIAZOL-2-YL)PYRIMIDIN-2-YL]AMINO}-3,3-DIMETHYL-2-BENZOFURAN-1(3H)-ONE

Released:
DOI: 10.2210/pdb7kac/pdb
PDB entry 7kac coloured by chain, front view.
PDB entry 7kac coloured by chain, side view.
PDB entry 7kac coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Using yeast surface display to engineer a soluble and crystallizable construct of hematopoietic progenitor kinase 1 (HPK1).
Lau WL, Pearce B, Malakian H, Rodrigo I, Xie D, Gao M, Marsilio F, Chang C, Ruzanov M, Muckelbauer JK, Newitt JA, Lipovšek D, Sheriff S
Acta Crystallogr F Struct Biol Commun 77 22-28 (2021)
PMID: 33439152

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187814 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 340 amino acids
Theoretical weight: 38.05 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q92918 (Residues: 1-319; Coverage: 38%)
Gene names: HPK1, MAP4K1
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand W9D 2 x W9D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P1
Unit cell:
a: 55.83Å b: 58.47Å c: 60.48Å
α: 78.81° β: 79.82° γ: 66.08°
R-values:
R R work R free
0.218 0.217 0.232
Expression system: Spodoptera frugiperda

Quick links

Citations

2 citation in other articles

Yeast Surface Display: New Opportunities for a Time-Tested Protein Engineering System.
Raeeszadeh-Sarmazdeh et al. (2022)
1 more

3 mentions without citation

Discovery of Orally Active Isofuranones as Potent, Selective Inhibitors of Hematopoetic Progenitor Kinase 1.
Degnan et al. (2021)
2 more