› 6siz

X-ray diffraction
1.77Å resolution

PaaK family AMP-ligase with ANP and substrate

Released:
DOI: 10.2210/pdb6siz/pdb
PDB entry 6siz coloured by chain, front view.
PDB entry 6siz coloured by chain, side view.
PDB entry 6siz coloured by chain, top view.
Source organism: Streptomyces sp. Tu 6176
Primary publication:
The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Song H, Rao C, Deng Z, Yu Y, Naismith JH
Angew Chem Int Ed Engl 59 6054-6061 (2020)
PMID: 31903677

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100026 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AMP-dependent synthetase/ligase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 437 amino acids
Theoretical weight: 48.36 KDa
Source organism: Streptomyces sp. Tu 6176
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A0A022MRT4 (Residues: 1-436; Coverage: 100%)
Gene names: CF54_07380, natL2
Sequence domains: AMP-binding enzyme

Ligands and Environments

6 bound ligands:
Ligand ZN 2 x ZN
Ligand 3HA 2 x 3HA
Ligand ANP 2 x ANP
Ligand EDO 7 x EDO
Ligand MG 4 x MG
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2221
Unit cell:
a: 107.45Å b: 138.81Å c: 130.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.228
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

Aryl Coenzyme A Ligases, a Subfamily of the Adenylate-Forming Enzyme Superfamily.
Arnold et al. (2021)
6 other articles