› 5u95

X-ray diffraction
2.25Å resolution

Structure of the open conformation of 4-coumarate-CoA ligase from Nicotiana tabacum

Released:
DOI: 10.2210/pdb5u95/pdb
PDB entry 5u95 coloured by chain, front view.
PDB entry 5u95 coloured by chain, side view.
PDB entry 5u95 coloured by chain, top view.
Source organism: Nicotiana tabacum
Entry authors: Morioka WP, Bianchetti CM

Function and Biology Details

Reactions catalysed: 
ATP + 4-coumarate + CoA = AMP + diphosphate + 4-coumaroyl-CoA
Ferulic acid + CoA + ATP = feruloyl-CoA + products of ATP breakdown
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127663 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-coumarate--CoA ligase 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 542 amino acids
Theoretical weight: 59.48 KDa
Source organism: Nicotiana tabacum
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O24146 (Residues: 1-542; Coverage: 100%)
Gene name: 4CL2
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand CA 5 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P41
Unit cell:
a: 108.259Å b: 108.259Å c: 183.22Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.193 0.26
Expression system: Escherichia coli BL21

Quick links