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Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0

X-ray diffraction
1.5Å resolution
PDB entry 4j9d coloured by chain, front view.
PDB entry 4j9d coloured by chain, side view.
PDB entry 4j9d coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: SH3 domain-binding protein 1 and Tyrosine-protein kinase ABL1
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Multimeric state: hetero dimer
Accessible surface area: 3999.08 Å2
Buried surface area: 1120.61 Å2
Dissociation area: 504.97 Å2
Dissociation energy (ΔGdiss): 2.54 kcal/mol
Dissociation entropy (TΔSdiss): 7.2 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132619
Assembly 2
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Assembly Name: SH3 domain-binding protein 1 and Tyrosine-protein kinase ABL1
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Multimeric state: hetero dimer
Accessible surface area: 3976.7 Å2
Buried surface area: 1171.67 Å2
Dissociation area: 530.63 Å2
Dissociation energy (ΔGdiss): 2.69 kcal/mol
Dissociation entropy (TΔSdiss): 7.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132619
Assembly 3 (preferred)
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Assembly Name: SH3 domain-binding protein 1 and Tyrosine-protein kinase ABL1
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Multimeric state: hetero dimer
Accessible surface area: 4031.49 Å2
Buried surface area: 1334.02 Å2
Dissociation area: 520.08 Å2
Dissociation energy (ΔGdiss): 1.79 kcal/mol
Dissociation entropy (TΔSdiss): 7.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132619

Macromolecules

Tyrosine-protein kinase ABL1
Chains: A, C, E
Length: 63 amino acids
Theoretical weight: 6.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00519 (Residues: 60-121; Coverage: 6%)
Gene names: ABL, ABL1, JTK7
Pfam: SH3 domain
InterPro:
CATH: SH3 Domains
Tyrosine-protein kinase ABL1 in PDB entry 4j9d, assembly 3, front view.
Tyrosine-protein kinase ABL1 in PDB entry 4j9d, assembly 3, side view.
Tyrosine-protein kinase ABL1 in PDB entry 4j9d, assembly 3, top view.
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SH3 domain-binding protein 1
Chains: B, D, F
Length: 11 amino acids
Theoretical weight: 1.08 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9Y3L3 (Residues: 616-625; Coverage: 1%)
  • Best match: Q9Y3L3-2 (Residues: 391-393)
Gene name: SH3BP1
SH3 domain-binding protein 1 in PDB entry 4j9d, assembly 3, front view.
SH3 domain-binding protein 1 in PDB entry 4j9d, assembly 3, side view.
SH3 domain-binding protein 1 in PDB entry 4j9d, assembly 3, top view.
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