› 2w3b

X-ray diffraction
1.27Å resolution

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

Released:
DOI: 10.2210/pdb2w3b/pdb
PDB entry 2w3b coloured by chain, front view.
PDB entry 2w3b coloured by chain, side view.
PDB entry 2w3b coloured by chain, top view.
Source organism: Homo sapiens
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-132447 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 187 amino acids
Theoretical weight: 21.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00374 (Residues: 1-187; Coverage: 100%)
Gene name: DHFR
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand VG9 2 x VG9
Ligand FOL 2 x FOL
Ligand K 2 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: C2221
Unit cell:
a: 87.725Å b: 94.387Å c: 95.439Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.203
Expression system: Escherichia coli BL21(DE3)

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