› 8coq

X-ray diffraction
1.7Å resolution

Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine

Released:
DOI: 10.2210/pdb8coq/pdb
PDB entry 8coq coloured by chain, front view.
PDB entry 8coq coloured by chain, side view.
PDB entry 8coq coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Kirkman TJ, Dias MVB

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161902 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 161 amino acids
Theoretical weight: 17.89 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WNX1 (Residues: 1-161; Coverage: 100%)
Gene names: MTV002.28c, Rv2763c, dfrA, folA
Sequence domains: Dihydrofolate reductase

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand VDT 2 x VDT
Ligand CO 2 x CO
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 61.474Å b: 72.81Å c: 71.844Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.21 0.234
Expression system: Escherichia coli BL21(DE3)

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