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Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]prop-1-yn-1-yl}6-ethylprimidine-2,4-diamine

X-ray diffraction
1.76Å resolution
PDB entry 4kfj coloured by chain, front view.
PDB entry 4kfj coloured by chain, side view.
PDB entry 4kfj coloured by chain, top view.
Source organism: Homo sapiens
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: 9618.98 Å2
Buried surface area: 1724.51 Å2
Dissociation area: 46.69 Å2
Dissociation energy (ΔGdiss): 0.27 kcal/mol
Dissociation entropy (TΔSdiss): -1.31 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132447
Assembly 2
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 9549.36 Å2
Buried surface area: 2809.22 Å2
Dissociation area: 554.58 Å2
Dissociation energy (ΔGdiss): -1.64 kcal/mol
Dissociation entropy (TΔSdiss): 5.26 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132447

Macromolecules

Dihydrofolate reductase
Chains: A, B
Length: 186 amino acids
Theoretical weight: 21.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00374 (Residues: 2-187; Coverage: 100%)
Gene name: DHFR
Pfam: Dihydrofolate reductase
InterPro:
CATH: Dihydrofolate Reductase, subunit A
Dihydrofolate reductase in PDB entry 4kfj, assembly 1, front view.
Dihydrofolate reductase in PDB entry 4kfj, assembly 1, side view.
Dihydrofolate reductase in PDB entry 4kfj, assembly 1, top view.
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