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Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid

X-ray diffraction
2.13Å resolution
PDB entry 3ivc coloured by chain, front view.
PDB entry 3ivc coloured by chain, side view.
PDB entry 3ivc 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 (preferred)
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Assembly Name: Pantothenate synthetase
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Multimeric state: homo dimer
Accessible surface area: 23064.21 Å2
Buried surface area: 5451.44 Å2
Dissociation area: 1,522.29 Å2
Dissociation energy (ΔGdiss): -2.48 kcal/mol
Dissociation entropy (TΔSdiss): 13.44 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-161641
Assembly 2
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Assembly Name: Pantothenate synthetase
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Multimeric state: homo dimer
Accessible surface area: 24378.08 Å2
Buried surface area: 4137.57 Å2
Dissociation area: 751.15 Å2
Dissociation energy (ΔGdiss): 2.21 kcal/mol
Dissociation entropy (TΔSdiss): 13.12 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-161641

Macromolecules

Pantothenate synthetase
Chains: A, B
Length: 301 amino acids
Theoretical weight: 31.57 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WIL5 (Residues: 1-301; Coverage: 97%)
Gene names: MTCY07H7B.20, Rv3602c, panC
Pfam: Pantoate-beta-alanine ligase
InterPro:
CATH:
Pantothenate synthetase in PDB entry 3ivc, assembly 1, front view.
Pantothenate synthetase in PDB entry 3ivc, assembly 1, side view.
Pantothenate synthetase in PDB entry 3ivc, assembly 1, top view.
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