› 4kdy

X-ray diffraction
1.5Å resolution

Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site

Released:
DOI: 10.2210/pdb4kdy/pdb
PDB entry 4kdy coloured by chain, front view.
PDB entry 4kdy coloured by chain, side view.
PDB entry 4kdy coloured by chain, top view.
Source organism: Anaeromyxobacter dehalogenans 2CP-1
Entry authors: Kim J, Toro R, Bhosle R, Al Obaidi NF, Morisco LL, Wasserman SR, Sojitra S, Washington E, Scott Glenn A, Chowdhury S, Evans B, Hammonds J, Hillerich B, Love J, Seidel RD, Imker HJ, Stead M, Gerlt JA, Almo SC, Enzyme Function Initiative (EFI)

Function and Biology Details

Reaction catalysed: 
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-110735 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Maleylacetoacetate isomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 242 amino acids
Theoretical weight: 27.59 KDa
Source organism: Anaeromyxobacter dehalogenans 2CP-1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B8J605 (Residues: 1-220; Coverage: 100%)
Gene name: A2cp1_3570
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GSH 2 x GSH
Ligand CIT 1 x CIT
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 63.505Å b: 80.49Å c: 87.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.203
Expression system: Escherichia coli BL21(DE3)

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