› 5o1n

X-ray diffraction
2.28Å resolution

Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound

Released:
DOI: 10.2210/pdb5o1n/pdb
PDB entry 5o1n coloured by chain, front view.
PDB entry 5o1n coloured by chain, side view.
PDB entry 5o1n coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Kopec J, Rembeza E, Pena IA, Strain-Damerell C, Goubin S, Sethi R, Velupillai S, Talon R, Collins P, Krojer T, McLaughlin M, Burgess-Brown N, Arrowsmith C, Edwards A, Bountra C, Brennan P, von Delft F, Arruda P, Yue WW

Function and Biology Details

Reactions catalysed: 
N(6)-(L-1,3-dicarboxypropyl)-L-lysine + NADP(+) + H(2)O = L-lysine + 2-oxoglutarate + NADPH
N(6)-(L-1,3-dicarboxypropyl)-L-lysine + NAD(+) + H(2)O = L-glutamate + (S)-2-amino-6-oxohexanoate + NADH
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193693 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-aminoadipic semialdehyde synthase, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 497 amino acids
Theoretical weight: 54.61 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UDR5 (Residues: 455-926; Coverage: 51%)
Gene name: AASS
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 9H8 1 x 9H8
Ligand DMS 1 x DMS
Ligand EDO 1 x EDO
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 89.396Å b: 89.396Å c: 147.893Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.266 0.265 0.286
Expression system: Spodoptera frugiperda

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