› 2w3w

X-ray diffraction
1.6Å resolution

MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686)

Released:
DOI: 10.2210/pdb2w3w/pdb
PDB entry 2w3w coloured by chain, front view.
PDB entry 2w3w coloured by chain, side view.
PDB entry 2w3w coloured by chain, top view.
Source organism: Mycobacterium avium
Entry authors: Leung AKW, Reynolds RC, Borhani DW

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-128247 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 167 amino acids
Theoretical weight: 18.45 KDa
Source organism: Mycobacterium avium
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O30463 (Residues: 1-167; Coverage: 92%)
Gene name: folA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
1 bound ligand:
Ligand VG9 1 x VG9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P212121
Unit cell:
a: 36.729Å b: 53.965Å c: 81.191Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.173 0.207
Expression system: Escherichia coli BL21(DE3)

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