› 9be4

X-ray diffraction
3Å resolution

The post-condensation state of the dimodular NRPS protein LgrA

Released:
DOI: 10.2210/pdb9be4/pdb
PDB entry 9be4 coloured by chain, front view.
PDB entry 9be4 coloured by chain, side view.
PDB entry 9be4 coloured by chain, top view.
Source organism: Brevibacillus parabrevis
Primary publication:
Structures and mechanism of condensation in nonribosomal peptide synthesis.
Pistofidis A, Ma P, Li Z, Munro K, Houk KN, Schmeing TM
Nature (2024)
PMID: 39662504

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180704 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Linear gramicidin synthase subunit A Chains: A, B
Molecule details ›
Chains: A, B
Length: 1814 amino acids
Theoretical weight: 206.25 KDa
Source organism: Brevibacillus parabrevis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q70LM7 (Residues: 3-769, 770-1802; Coverage: 79%)
Gene name: lgrA
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 3 x GOL
Ligand A1AMN 1 x A1AMN
Ligand MN 1 x MN
1 modified residue:
Ligand 4HH 2 x 4HH

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P21212
Unit cell:
a: 184.406Å b: 426.58Å c: 77.298Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.218 0.258
Expression system: Escherichia coli

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