› 6deb

X-ray diffraction
1.7Å resolution

Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni

Released:
DOI: 10.2210/pdb6deb/pdb
PDB entry 6deb coloured by chain, front view.
PDB entry 6deb coloured by chain, side view.
PDB entry 6deb coloured by chain, top view.
Source organism: Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819
Entry authors: Kim Y, Makowska-Grzyska M, Maltseva N, Grimshaw S, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reactions catalysed: 
5,10-methylenetetrahydrofolate + NADP(+) = 5,10-methenyltetrahydrofolate + NADPH
5,10-methenyltetrahydrofolate + H(2)O = 10-formyltetrahydrofolate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171038 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional protein FolD Chains: A, B
Molecule details ›
Chains: A, B
Length: 285 amino acids
Theoretical weight: 30.66 KDa
Source organism: Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q0PA35 (Residues: 1-282; Coverage: 100%)
Gene names: Cj0855, folD
Sequence domains:

Ligands and Environments

7 bound ligands:
Ligand GUN 1 x GUN
Ligand K 1 x K
Ligand GOL 5 x GOL
Ligand CL 3 x CL
Ligand TRS 1 x TRS
Ligand MTX 2 x MTX
Ligand DTT 1 x DTT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 163.867Å b: 59.086Å c: 72.993Å
α: 90° β: 100.08° γ: 90°
R-values:
R R work R free
0.162 0.161 0.188
Expression system: Escherichia coli BL21(DE3)

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