› 6nnd

X-ray diffraction
1.7Å resolution

Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate

Released:
DOI: 10.2210/pdb6nnd/pdb
PDB entry 6nnd coloured by chain, front view.
PDB entry 6nnd coloured by chain, side view.
PDB entry 6nnd coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
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-161901 (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 H37Rv
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P9WNX1 (Residues: 3-161; Coverage: 99%)
Gene names: MTV002.28c, Rv2763c, dfrA, folA
Sequence domains: Dihydrofolate reductase

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand CO 3 x CO
Ligand DHF 2 x DHF
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P212121
Unit cell:
a: 60.981Å b: 70.863Å c: 72.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.209
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

2 citation in other articles

Identification of P218 as a potent inhibitor of Mycobacterium ulcerans DHFR.
Riboldi et al. (2021)
1 more

1 mention without citation

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