Solution NMR

NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1)


Function and Biology Details

Reaction catalysed:
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tyrosine-protein kinase HCK Chain: A
Molecule details ›
Chain: A
Length: 86 amino acids
Theoretical weight: 9.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
  • Canonical: P08631 (Residues: 61-141; Coverage: 15%)
Gene name: HCK
Sequence domains: SH3 domain
Structure domains: SH3 Domains
artificial peptide PD1 Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.37 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 79%
Refinement method: Simulated annealing with generalized born solvent model and NMR distance constraints
Chemical shifts: BMR6581  
Expression systems:
  • Escherichia coli BL21
  • Not provided