› 6nne

X-ray diffraction
1.6Å resolution

Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine

Released:
DOI: 10.2210/pdb6nne/pdb
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PDB entry 6nne coloured by chain, front view.
PDB entry 6nne coloured by chain, side view.
PDB entry 6nne coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Ra
Primary publication:
Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Ribeiro JA, Chavez-Pacheco SM, de Oliveira GS, Silva CDS, Giudice JHP, Libreros-Zúñiga GA, Dias MVB
Acta Crystallogr D Struct Biol 75 682-693 (2019)
PMID: 31282477

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-107743 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 159 amino acids
Theoretical weight: 17.66 KDa
Source organism: Mycobacterium tuberculosis H37Ra
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: A5U6B6 (Residues: 1-159; Coverage: 100%)
Gene names: MRA_2788, dfrA
Sequence domains: Dihydrofolate reductase

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand CO 2 x CO
Ligand KUP 2 x KUP
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P212121
Unit cell:
a: 61.663Å b: 72.175Å c: 72.381Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.219
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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Citations

3 citation in other articles

Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F420H2-dependent reduction.
Aragaw et al. (2021)
2 more

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