› 6w29

X-ray diffraction
2.14Å resolution

Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC013)

Released:
DOI: 10.2210/pdb6w29/pdb
PDB entry 6w29 coloured by chain, front view.
PDB entry 6w29 coloured by chain, side view.
PDB entry 6w29 coloured by chain, top view.
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 7 2455-2471 (2021)
PMID: 34279922

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175476 (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

4 bound ligands:
Ligand SEV 1 x SEV
Ligand CIT 1 x CIT
Ligand EPE 1 x EPE
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P43212
Unit cell:
a: 73.519Å b: 73.519Å c: 233.713Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.239
Expression system: Escherichia coli BL21(DE3)

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