› 6neh

X-ray diffraction
1.52Å resolution

N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE

Released:
DOI: 10.2210/pdb6neh/pdb
PDB entry 6neh coloured by chain, front view.
PDB entry 6neh coloured by chain, side view.
PDB entry 6neh coloured by chain, top view.
Source organism: Thalictrum flavum subsp. glaucum
Entry authors: Valentic TR, Smolke CD, Payne JT

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + (S)-scoulerine = S-adenosyl-L-homocysteine + (S)-tetrahydrocolumbamine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176903 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-scoulerine 9-O-methyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 375 amino acids
Theoretical weight: 40.74 KDa
Source organism: Thalictrum flavum subsp. glaucum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5C9L2 (Residues: 1-355; Coverage: 100%)
Sequence domains:

Ligands and Environments


Cofactor: Ligand SAH 2 x SAH
1 bound ligand:
Ligand SLX 2 x SLX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P21
Unit cell:
a: 61.13Å b: 77.74Å c: 67.35Å
α: 90° β: 91.85° γ: 90°
R-values:
R R work R free
0.157 0.156 0.182
Expression system: Escherichia coli BL21(DE3)

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