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Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic

X-ray diffraction
2.02Å resolution
PDB entry 3imj coloured by chain, front view.
PDB entry 3imj coloured by chain, side view.
PDB entry 3imj coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Growth factor receptor-bound protein 2
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Multimeric state: monomeric
Accessible surface area: 6412.45 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158852
Assembly 2
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Assembly Name: Growth factor receptor-bound protein 2
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Multimeric state: monomeric
Accessible surface area: 6100.82 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158852
Assembly 3
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Assembly Name: Growth factor receptor-bound protein 2
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Multimeric state: homo dimer
Accessible surface area: 10389.09 Å2
Buried surface area: 2124.19 Å2
Dissociation area: 1,062.09 Å2
Dissociation energy (ΔGdiss): 4.55 kcal/mol
Dissociation entropy (TΔSdiss): 11.31 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-158872

Macromolecules

Growth factor receptor-bound protein 2
Chains: A, B
Length: 117 amino acids
Theoretical weight: 13.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62993 (Residues: 53-163; Coverage: 51%)
Gene names: ASH, GRB2
Pfam: SH2 domain
InterPro:
CATH: SH2 domain
Growth factor receptor-bound protein 2 in PDB entry 3imj, assembly 1, front view.
Growth factor receptor-bound protein 2 in PDB entry 3imj, assembly 1, side view.
Growth factor receptor-bound protein 2 in PDB entry 3imj, assembly 1, top view.
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