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› 7r9n

X-ray diffraction
1.5Å resolution

Crystal structure of HPK1 in complex with GNE1858

Released:
DOI: 10.2210/pdb7r9n/pdb
Model geometry
Fit model/data
PDB entry 7r9n coloured by chain, front view.
PDB entry 7r9n coloured by chain, side view.
PDB entry 7r9n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Chan BK, Seward E, Lainchbury M, Brewer TF, An L, Blench T, Cartwright MW, Chan GKY, Choo EF, Drummond J, Elliott RL, Gancia E, Gazzard L, Hu B, Jones GE, Luo X, Madin A, Malhotra S, Moffat JG, Pang J, Salphati L, Sneeringer CJ, Stivala CE, Wei B, Wang W, Wu P, Heffron TP
ACS Med Chem Lett 13 84-91 (2022)
PMID: 35059127

Function and Biology Details

Reaction catalysed: 
(1) L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+).
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: 297 amino acids
Theoretical weight: 33.21 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q92918 (Residues: 2-293; Coverage: 35%)
Gene names: HPK1, MAP4K1
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand F97 2 x F97
Ligand EDO 1 x EDO
Ligand MES 1 x MES
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: P1
Unit cell:
a: 52.006Å b: 57.963Å c: 61.562Å
α: 70.36° β: 66.43° γ: 68.57°
R-values:
R R work R free
0.167 0.166 0.191
Expression system: Spodoptera frugiperda

Quick links

Citations

4 citation in other articles

Discovery of Pyrazolopyridine Derivatives as HPK1 Inhibitors.
Ye et al. (2023)
3 more

1 mention without citation

Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Chan et al. (2022)