› 3ite

X-ray diffraction
2Å resolution

The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase

Released:
DOI: 10.2210/pdb3ite/pdb
PDB entry 3ite coloured by chain, front view.
PDB entry 3ite coloured by chain, side view.
PDB entry 3ite coloured by chain, top view.
Source organism: Epichloe festucae var. lolii
Primary publication:
Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis.
Lee TV, Johnson LJ, Johnson RD, Koulman A, Lane GA, Lott JS, Arcus VL
J Biol Chem 285 2415-27 (2010)
PMID: 19923209

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125612 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nonribosomal peptide synthase sidN Chains: A, B
Molecule details ›
Chains: A, B
Length: 562 amino acids
Theoretical weight: 61.59 KDa
Source organism: Epichloe festucae var. lolii
Expression system: Escherichia coli
UniProt:
  • Canonical: K7NCP5 (Residues: 617-1174; Coverage: 29%)
Gene name: sidN
Sequence domains: AMP-binding enzyme
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand CL 2 x CL
1 modified residue:
Ligand MSE 20 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P1
Unit cell:
a: 50.598Å b: 75.28Å c: 84.137Å
α: 114.85° β: 94.78° γ: 90.18°
R-values:
R R work R free
0.195 0.194 0.228
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Explorations of catalytic domains in non-ribosomal peptide synthetase enzymology.
Hur et al. (2012)
8 more

5 mentions without citation

Structural advances toward understanding the catalytic activity and conformational dynamics of modular nonribosomal peptide synthetases.
Patel et al. (2023)
4 more