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

Solution NMR
PDB entry 2oj2 coloured by chain, ensemble of 20 models, front view.
PDB entry 2oj2 coloured by chain, ensemble of 20 models, side view.
PDB entry 2oj2 coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Tyrosine-protein kinase HCK and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7544.88 Å2
Buried surface area: 1771.21 Å2
Dissociation area: 780.79 Å2
Dissociation energy (ΔGdiss): 3.83 kcal/mol
Dissociation entropy (TΔSdiss): 8.1 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140249

Macromolecules

Tyrosine-protein kinase HCK
Chain: A
Length: 86 amino acids
Theoretical weight: 9.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P08631 (Residues: 61-141; Coverage: 15%)
Gene name: HCK
Pfam: SH3 domain
InterPro:
CATH: SH3 Domains
Tyrosine-protein kinase HCK in PDB entry 2oj2, assembly 1, front view.
Tyrosine-protein kinase HCK in PDB entry 2oj2, assembly 1, side view.
Tyrosine-protein kinase HCK in PDB entry 2oj2, assembly 1, top view.
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artificial peptide PD1
Chain: B
Length: 14 amino acids
Theoretical weight: 1.37 KDa
Source organism: Homo sapiens
Expression system: Not provided
artificial peptide PD1 in PDB entry 2oj2, assembly 1, front view.
artificial peptide PD1 in PDB entry 2oj2, assembly 1, side view.
artificial peptide PD1 in PDB entry 2oj2, assembly 1, top view.
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