› 1xhl

X-ray diffraction
2.4Å resolution

Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate

Released:
DOI: 10.2210/pdb1xhl/pdb
PDB entry 1xhl coloured by chain, front view.
PDB entry 1xhl coloured by chain, side view.
PDB entry 1xhl coloured by chain, top view.
Source organism: Caenorhabditis elegans
Entry authors: Schormann N, Karpova E, Zhou J, Zhang Y, Symersky J, Bunzel R, Huang W-Y, Arabshahi A, Qiu S, Luan C-H, Gray R, Carson M, Tsao J, Luo M, Johnson D, Lu S, Lin G, Luo D, Cao Z, Li S, McKInstry A, Shang Q, Chen Y-J, Bray T, Nagy L, DeLucas L, Southeast Collaboratory for Structural Genomics (SECSG)

Function and Biology Details

Reaction catalysed: 
Pseudotropine + NADP(+) = tropinone + NADPH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172756 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DeHydrogenases, Short chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 297 amino acids
Theoretical weight: 31.55 KDa
Source organism: Caenorhabditis elegans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q19774 (Residues: 1-277; Coverage: 100%)
Gene names: CELE_F25D1.5, F25D1.5
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand TNE 2 x TNE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P41212
Unit cell:
a: 109.589Å b: 109.589Å c: 162.591Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.215
Expression system: Escherichia coli BL21(DE3)

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