› 4qi9

X-ray diffraction
2.3Å resolution

Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate

Released:
DOI: 10.2210/pdb4qi9/pdb
PDB entry 4qi9 coloured by chain, front view.
PDB entry 4qi9 coloured by chain, side view.
PDB entry 4qi9 coloured by chain, top view.
Source organism: Yersinia pestis CO92
Entry authors: Maltseva N, Kim Y, Makowska-Grzyska M, Mulligan R, Shatsman S, Anderson WF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

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-104916 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 167 amino acids
Theoretical weight: 19.26 KDa
Source organism: Yersinia pestis CO92
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A0A3N4BLI0 (Residues: 1-160; Coverage: 100%)
Gene names: YPO0486, folA, tmrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

1 bound ligand:
Ligand MTX 3 x MTX
1 modified residue:
Ligand MSE 21 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 178.196Å b: 103.641Å c: 34.288Å
α: 90° β: 93° γ: 90°
R-values:
R R work R free
0.193 0.191 0.236
Expression system: Escherichia coli BL21

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