› 5kva

X-ray diffraction
1.83Å resolution

Crystal Structure of sorghum caffeoyl-CoA O-methyltransferase (CCoAOMT)

Released:
DOI: 10.2210/pdb5kva/pdb
PDB entry 5kva coloured by chain, front view.
PDB entry 5kva coloured by chain, side view.
PDB entry 5kva coloured by chain, top view.
Source organism: Sorghum bicolor
Primary publication:
The Structure and Catalytic Mechanism of Sorghum bicolor Caffeoyl-CoA O-Methyltransferase.
Walker AM, Sattler SA, Regner M, Jones JP, Ralph J, Vermerris W, Sattler SE, Kang C
Plant Physiol 172 78-92 (2016)
PMID: 27457122

Function and Biology Details

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-111544 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
caffeoyl-CoA O-methyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 278 amino acids
Theoretical weight: 31.05 KDa
Source organism: Sorghum bicolor
Expression system: Escherichia coli
UniProt:
  • Canonical: C5Z4W3 (Residues: 1-261; Coverage: 100%)
Gene name: SORBI_3010G052200
Sequence domains: O-methyltransferase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments

2 bound ligands:
Ligand SAM 2 x SAM
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21
Unit cell:
a: 55.531Å b: 91.562Å c: 55.783Å
α: 90° β: 90.69° γ: 90°
R-values:
R R work R free
0.16 0.159 0.193
Expression system: Escherichia coli

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Citations

1 review citation

Significance and Transformation of 3-Alkyl-2-Methoxypyrazines Through Grapes to Wine: Olfactory Properties, Metabolism, Biochemical Regulation, and the HP-MP Cycle.
Zhao et al. (2019)
18 other articles

6 mentions without citation

Functional Diversification and Structural Origins of Plant Natural Product Methyltransferases.
Lashley et al. (2022)
5 more