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Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones

X-ray diffraction
1.833Å resolution
PDB entry 4jap coloured by chain, front view.
PDB entry 4jap coloured by chain, side view.
PDB entry 4jap coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11
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Multimeric state: homo dimer
Accessible surface area: 23745.98 Å2
Buried surface area: 7004.75 Å2
Dissociation area: 2,956.64 Å2
Dissociation energy (ΔGdiss): 10.73 kcal/mol
Dissociation entropy (TΔSdiss): 14.3 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-161977
Assembly 2 (preferred)
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Assembly Name: Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11
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Multimeric state: homo dimer
Accessible surface area: 23757.29 Å2
Buried surface area: 5363.39 Å2
Dissociation area: 2,128.26 Å2
Dissociation energy (ΔGdiss): 16.04 kcal/mol
Dissociation entropy (TΔSdiss): 14.1 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-161977

Macromolecules

Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11
Chains: A, B, C, D
Length: 353 amino acids
Theoretical weight: 37.68 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Mycolicibacterium smegmatis
UniProt:
  • Canonical: P9WPF3 (Residues: 1-353; Coverage: 100%)
Gene names: Rv1665, pks11
Pfam:
InterPro:
CATH: Peroxisomal Thiolase; Chain A, domain 1
Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11 in PDB entry 4jap, assembly 2, front view.
Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11 in PDB entry 4jap, assembly 2, side view.
Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11 in PDB entry 4jap, assembly 2, top view.
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