6f9q

X-ray diffraction
1.4Å resolution

Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+

Released:

Function and Biology Details

Reaction catalysed:
(S)-8-oxocitronellyl enol = (+)-cis,cis-nepetalactol
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
PDBe Complex ID:
PDB-CPX-104949 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(+)-cis,cis-nepetalactol synthase NEPS3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 272 amino acids
Theoretical weight: 28.36 KDa
Source organism: Nepeta racemosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A3Q8GLE8 (Residues: 1-270; Coverage: 100%)
Gene name: NEPS3
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 63.921Å b: 107.75Å c: 69.361Å
α: 90° β: 104.26° γ: 90°
R-values:
R R work R free
0.151 0.15 0.168
Expression system: Escherichia coli BL21(DE3)