› 3hfk

X-ray diffraction
1.9Å resolution

Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with 4-methylmuconolactone

Released:
DOI: 10.2210/pdb3hfk/pdb
PDB entry 3hfk coloured by chain, front view.
PDB entry 3hfk coloured by chain, side view.
PDB entry 3hfk coloured by chain, top view.
Source organism: Pseudomonas reinekei
Primary publication:
Crystal structure and catalytic mechanism of 4-methylmuconolactone methylisomerase.
Marín M, Heinz DW, Pieper DH, Klink BU
J Biol Chem 284 32709-16 (2009)
PMID: 19801657

Function and Biology Details

Reaction catalysed: 
4-carboxymethyl-4-methylbut-2-en-1,4-olide = 4-carboxymethyl-3-methylbut-2-en-1,4-olide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-Methylmuconolactone methyl-isomerase domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 116 amino acids
Theoretical weight: 13.58 KDa
Source organism: Pseudomonas reinekei
Expression system: Escherichia coli
UniProt:
  • Canonical: C5MR76 (Residues: 1-107; Coverage: 100%)
Gene names: BVK86_00405, F7R15_00410, SAMN04490202_5523, mmlI
Sequence domains: Methylmuconolactone methyl-isomerase
Structure domains: Alpha-Beta Plaits

Ligands and Environments

1 bound ligand:
Ligand 4ML 7 x 4ML
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: C2221
Unit cell:
a: 82.17Å b: 84.36Å c: 150.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.231
Expression system: Escherichia coli

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Citations

3 citation in other articles

Identification of olivetolic acid cyclase from Cannabis sativa reveals a unique catalytic route to plant polyketides.
Gagne et al. (2012)
2 more

3 mentions without citation

Two novel classes of enzymes are required for the biosynthesis of aurofusarin in Fusarium graminearum.
Frandsen et al. (2011)
2 more