Structure analysis

Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17

X-ray diffraction
2.15Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 12900 Å2
Buried surface area: 950 Å2
Dissociation area: 450 Å2
Dissociation energy (ΔGdiss): -2 kcal/mol
Dissociation entropy (TΔSdiss): 6 kcal/mol
Interface energy (ΔGint): 1 kcal/mol
Symmetry number: 1

Macromolecules

Chain: A
Length: 321 amino acids
Theoretical weight: 37.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P18031 (Residues: 1-321; Coverage: 74%)
Gene names: PTP1B, PTPN1
Pfam: Protein-tyrosine phosphatase
InterPro:
CATH: Protein tyrosine phosphatase superfamily
SCOP: Higher-molecular-weight phosphotyrosine protein phosphatases

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