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Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate

X-ray diffraction
2.297Å resolution
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
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 9254.02 Å2
Buried surface area: 842.89 Å2
Dissociation area: 421.45 Å2
Dissociation energy (ΔGdiss): -2.5 kcal/mol
Dissociation entropy (TΔSdiss): 5.36 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-104916
Assembly 2
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 9406.04 Å2
Buried surface area: 830.29 Å2
Dissociation area: 415.15 Å2
Dissociation energy (ΔGdiss): -1.02 kcal/mol
Dissociation entropy (TΔSdiss): 5.34 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-104916
Assembly 3
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 8935.58 Å2
Buried surface area: 825.71 Å2
Dissociation area: 412.85 Å2
Dissociation energy (ΔGdiss): -2.07 kcal/mol
Dissociation entropy (TΔSdiss): 5.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-104916

Macromolecules

Dihydrofolate reductase
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
Pfam: Dihydrofolate reductase
InterPro:
CATH: Dihydrofolate Reductase, subunit A
Dihydrofolate reductase in PDB entry 4qi9, assembly 1, front view.
Dihydrofolate reductase in PDB entry 4qi9, assembly 1, side view.
Dihydrofolate reductase in PDB entry 4qi9, assembly 1, top view.
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