› 6vhw

X-ray diffraction
1.83Å resolution

Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxybenzoyl-AMSN

Released:
DOI: 10.2210/pdb6vhw/pdb
PDB entry 6vhw coloured by chain, front view.
PDB entry 6vhw coloured by chain, side view.
PDB entry 6vhw coloured by chain, top view.
Source organism: Klebsiella oxytoca
Primary publication:
Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic Pathogen Klebsiella oxytoca.
Alexander EM, Kreitler DF, Guidolin V, Hurben AK, Drake E, Villalta PW, Balbo S, Gulick AM, Aldrich CC
ACS Infect Dis 6 1976-1997 (2020)
PMID: 32485104

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-167638 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NpsA Adenylation Domain Chains: A, B
Molecule details ›
Chains: A, B
Length: 406 amino acids
Theoretical weight: 43.96 KDa
Source organism: Klebsiella oxytoca
Expression system: Escherichia coli

Ligands and Environments

6 bound ligands:
Ligand R2V 2 x R2V
Ligand PGE 1 x PGE
Ligand EPE 1 x EPE
Ligand PEG 2 x PEG
Ligand BR 3 x BR
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 77.436Å b: 60.284Å c: 80.253Å
α: 90° β: 101.009° γ: 90°
R-values:
R R work R free
0.202 0.201 0.231
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Klebsiella oxytoca and Emerging Nosocomial Infections.
Neog et al. (2021)
5 other articles

1 mention without citation

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