› 6w2n

X-ray diffraction
1.88Å resolution

Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC009)

Released:
DOI: 10.2210/pdb6w2n/pdb
PDB 6w2n coloured by chain and viewed from the front.
PDB 6w2n coloured by chain and viewed from the side.
PDB 6w2n coloured by chain and viewed from the top.
Source organism: Trypanosoma cruzi strain CL Brener
Primary publication:
Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box.
Mercaldi GF, Eufrásio AG, Ranzani AT, do Nascimento Faria J, Mota SGR, Fagundes M, Bruder M, Cordeiro AT
ACS Infect Dis (2021)
PMID: 34279922

Function and Biology Details

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:
Malic enzyme Chain: A
Molecule details ›
Chain: A
Length: 554 amino acids
Theoretical weight: 61.61 KDa
Source organism: Trypanosoma cruzi strain CL Brener
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q4DJ68 (Residues: 12-565; Coverage: 98%)
Gene name: Tc00.1047053505183.30
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand SJD 1 x SJD
Ligand CIT 1 x CIT
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P43212
Unit cell:
a: 73.835Å b: 73.835Å c: 234.506Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.193 0.222
Expression system: Escherichia coli BL21(DE3)

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