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Crystal Structure of PnC1 from L. infantum in complex with nicotinate

X-ray diffraction
2.68Å resolution
PDB entry 3r2j coloured by chain, front view.
PDB entry 3r2j coloured by chain, side view.
PDB entry 3r2j coloured by chain, top view.
Source organism: Leishmania infantum
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: nicotinamidase
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Multimeric state: homo dimer
Accessible surface area: 15269.65 Å2
Buried surface area: 2754.79 Å2
Dissociation area: 855.58 Å2
Dissociation energy (ΔGdiss): -2.3 kcal/mol
Dissociation entropy (TΔSdiss): 12.45 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-107317
Homo dimeric assembly 1 of PDB entry 3r2j coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 3r2j coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 3r2j coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 98%
No. subunits : 2
Symmetry : C2
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3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : quaternary structure geometry is similar to that of 2wt9_1 (35% id)
Assembly 2
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Assembly Name: nicotinamidase
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Multimeric state: homo dimer
Accessible surface area: 15179.51 Å2
Buried surface area: 2761.28 Å2
Dissociation area: 863.9 Å2
Dissociation energy (ΔGdiss): -2.73 kcal/mol
Dissociation entropy (TΔSdiss): 12.44 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-107317
Homo dimeric assembly 2 of PDB entry 3r2j coloured by chemically distinct molecules, front view.
Homo dimeric assembly 2 of PDB entry 3r2j coloured by chemically distinct molecules, side view.
Homo dimeric assembly 2 of PDB entry 3r2j coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 98%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : quaternary structure geometry is similar to that of 2wt9_1 (35% id)

Macromolecules

nicotinamidase
Chains: A, B, C, D
Length: 227 amino acids
Theoretical weight: 24.05 KDa
Source organism: Leishmania infantum
Expression system: Escherichia coli
UniProt:
  • Canonical: A4HRG8 (Residues: 14-218; Coverage: 94%)
Gene name: LINJ_01_0470
Pfam: Isochorismatase family
InterPro:
CATH: Isochorismatase-like
Isochorismatase-like domain-containing protein in PDB entry 3r2j, assembly 1, front view.
Isochorismatase-like domain-containing protein in PDB entry 3r2j, assembly 1, side view.
Isochorismatase-like domain-containing protein in PDB entry 3r2j, assembly 1, top view.
PDBe-KB: UniProt Coverage View: A4HRG8  
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