› 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:
DOI: 10.2210/pdb4pxo/pdb
PDB entry 4pxo coloured by chain, front view.
PDB entry 4pxo coloured by chain, side view.
PDB entry 4pxo coloured by chain, top view.
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: 
RX + glutathione = HX + R-S-glutathione
4-maleylacetoacetate = 4-fumarylacetoacetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111455 (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:
Ligand MLA 2 x MLA
Ligand EDO 8 x EDO
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)

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