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Structure of K57A hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy

X-ray diffraction
2.8Å resolution
PDB entry 2onz coloured by chain, front view.
PDB entry 2onz coloured by chain, side view.
PDB entry 2onz coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Phenylethanolamine N-methyltransferase
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Multimeric state: monomeric
Accessible surface area: 10403.56 Å2
Buried surface area: 699.8 Å2
Dissociation area: 349.9 Å2
Dissociation energy (ΔGdiss): -0.38 kcal/mol
Dissociation entropy (TΔSdiss): 4.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145654
Assembly 2
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Assembly Name: Phenylethanolamine N-methyltransferase
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Multimeric state: monomeric
Accessible surface area: 10758.93 Å2
Buried surface area: 703.23 Å2
Dissociation area: 351.62 Å2
Dissociation energy (ΔGdiss): -0.46 kcal/mol
Dissociation entropy (TΔSdiss): 4.28 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145654
Assembly 3
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Assembly Name: Phenylethanolamine N-methyltransferase
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Multimeric state: homo dimer
Accessible surface area: 20120.28 Å2
Buried surface area: 2445.24 Å2
Dissociation area: 521.1 Å2
Dissociation energy (ΔGdiss): 0.31 kcal/mol
Dissociation entropy (TΔSdiss): 12.8 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-145655

Macromolecules

Phenylethanolamine N-methyltransferase
Chains: A, B
Length: 289 amino acids
Theoretical weight: 31.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11086 (Residues: 1-282; Coverage: 100%)
Gene names: PENT, PNMT
Pfam: NNMT/PNMT/TEMT family
InterPro:
CATH: Vaccinia Virus protein VP39
Phenylethanolamine N-methyltransferase in PDB entry 2onz, assembly 1, front view.
Phenylethanolamine N-methyltransferase in PDB entry 2onz, assembly 1, side view.
Phenylethanolamine N-methyltransferase in PDB entry 2onz, assembly 1, top view.
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