4pxo

X-ray diffraction
1.8Å resolution

Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068)

Released:
Source organism: Methylorubrum extorquens AM1
Entry authors: Patskovsky Y, Toro R, Bhosle R, Hillerich B, Seidel RD, Washington E, Scott Glenn A, Chowdhury S, Evans B, Hammonds J, Imker HJ, Al Obaidi N, Stead M, Love J, Gerlt JA, Armstrong RN, Almo SC, Enzyme Function Initiative (EFI)

Function and Biology Details

Reactions catalysed:
4-maleylacetoacetate = 4-fumarylacetoacetate
RX + glutathione = HX + R-S-glutathione
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Maleylacetoacetate isomerase (Glutathione S-transferase) Chains: A, B
Molecule details ›
Chains: A, B
Length: 238 amino acids
Theoretical weight: 26.29 KDa
Source organism: Methylorubrum extorquens AM1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C5ATQ9 (Residues: 2-215; Coverage: 100%)
Gene names: MexAM1_META1p2830, maiA
Sequence domains: Glutathione S-transferase, N-terminal domain
Structure domains:

Ligands and Environments


Cofactor: Ligand GSH 2 x GSH
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P6522
Unit cell:
a: 109.628Å b: 109.628Å c: 185.367Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.145 0.144 0.174
Expression system: Escherichia coli BL21(DE3)