› 3r2j

X-ray diffraction
2.68Å resolution

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

Released:
DOI: 10.2210/pdb3r2j/pdb
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
Primary publication:
The Leishmania nicotinamidase is essential for NAD+ production and parasite proliferation.
Gazanion E, Garcia D, Silvestre R, Gérard C, Guichou JF, Labesse G, Seveno M, Cordeiro-Da-Silva A, Ouaissi A, Sereno D, Vergnes B
Mol Microbiol 82 21-38 (2011)
PMID: 21819459

Function and Biology Details

Reaction catalysed: 
Nicotinamide + H(2)O = nicotinate + NH(3)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107317 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
nicotinamidase Chains: A, B, C, D
Molecule details ›
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
Sequence domains: Isochorismatase family
Structure domains: Isochorismatase-like

Ligands and Environments

3 bound ligands:
Ligand ZN 4 x ZN
Ligand NIO 4 x NIO
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P4212
Unit cell:
a: 123.386Å b: 123.386Å c: 114.993Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.214 0.298
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Recent developments in drug discovery for leishmaniasis and human African trypanosomiasis.
Nagle et al. (2014)
4 more

9 mentions without citation

Copaifera of the Neotropics: A Review of the Phytochemistry and Pharmacology.
da Trindade et al. (2018)
8 more