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Structure of human ALDH1A1 with inhibitor CM039

X-ray diffraction
2.1Å resolution
PDB entry 5tei coloured by chain, front view.
PDB entry 5tei coloured by chain, side view.
PDB entry 5tei coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Aldehyde dehydrogenase 1A1
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Multimeric state: homo tetramer
Accessible surface area: 57344.3 Å2
Buried surface area: 28317.6 Å2
Dissociation area: 4,904.75 Å2
Dissociation energy (ΔGdiss): 34.02 kcal/mol
Dissociation entropy (TΔSdiss): 16.73 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-132425

Macromolecules

Aldehyde dehydrogenase 1A1
Chain: A
Length: 501 amino acids
Theoretical weight: 54.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00352 (Residues: 1-501; Coverage: 100%)
Gene names: ALDC, ALDH1, ALDH1A1, PUMB1
Pfam: Aldehyde dehydrogenase family
InterPro:
Aldehyde dehydrogenase 1A1 in PDB entry 5tei, assembly 1, front view.
Aldehyde dehydrogenase 1A1 in PDB entry 5tei, assembly 1, side view.
Aldehyde dehydrogenase 1A1 in PDB entry 5tei, assembly 1, top view.
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