› 5scr

X-ray diffraction
1.95Å resolution

Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-735

Released:
DOI: 10.2210/pdb5scr/pdb
PDB entry 5scr coloured by chain, front view.
PDB entry 5scr coloured by chain, side view.
PDB entry 5scr coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

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

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161901 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 179 amino acids
Theoretical weight: 19.83 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WNX1 (Residues: 3-161; Coverage: 99%)
Gene names: MTV002.28c, Rv2763c, dfrA, folA
Sequence domains: Dihydrofolate reductase

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand GXJ 1 x GXJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: FRE+ Superbright
Spacegroup: P212121
Unit cell:
a: 29.91Å b: 67.48Å c: 78.65Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.168 0.218
Expression system: Escherichia coli BL21(DE3)

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