› 4cd2

X-ray diffraction
2Å resolution

LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+

Released:
DOI: 10.2210/pdb4cd2/pdb
PDB entry 4cd2 coloured by chain, front view.
PDB entry 4cd2 coloured by chain, side view.
PDB entry 4cd2 coloured by chain, top view.
Source organism: Pneumocystis carinii
Primary publication:
Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Cody V, Galitsky N, Rak D, Luft JR, Pangborn W, Queener SF
Biochemistry 38 4303-12 (1999)
PMID: 10194348

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 206 amino acids
Theoretical weight: 23.92 KDa
Source organism: Pneumocystis carinii
Expression system: Escherichia coli
UniProt:
  • Canonical: P16184 (Residues: 1-206; Coverage: 100%)
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

1 bound ligand:
Ligand FOL 1 x FOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 38.048Å b: 61.51Å c: 85.665Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.176 not available
Expression system: Escherichia coli

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Citations

4 review citations

Tetrazoles via Multicomponent Reactions.
Neochoritis et al. (2019)
3 more

2 mentions without citation

In pursuit of virtual lead optimization: the role of the receptor structure and ensembles in accurate docking.
Bolstad et al. (2008)
1 more