› 4xje

X-ray diffraction
1.88Å resolution

CRYSTAL STRUCTURE OF ANT(2") IN COMPLEX WITH AMP AND TOBRAMYCIN

Released:
DOI: 10.2210/pdb4xje/pdb
PDB entry 4xje coloured by chain, front view.
PDB entry 4xje coloured by chain, side view.
PDB entry 4xje coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Revisiting the Catalytic Cycle and Kinetic Mechanism of Aminoglycoside O-Nucleotidyltransferase(2″): A Structural and Kinetic Study.
Bassenden AV, Park J, Rodionov D, Berghuis AM
ACS Chem Biol 15 686-694 (2020)
PMID: 32100995

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180517 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AadB Chain: A
Molecule details ›
Chain: A
Length: 185 amino acids
Theoretical weight: 20.96 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q6X3H6 (Residues: 73-249; Coverage: 71%)
Gene names: TNCP6, aadB
Sequence domains: Aminoglycoside-2''-adenylyltransferase
Structure domains: Beta Polymerase; domain 2

Ligands and Environments

3 bound ligands:
Ligand AMP 1 x AMP
Ligand TOY 1 x TOY
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P43212
Unit cell:
a: 42.02Å b: 42.02Å c: 191.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.167 0.188
Expression system: Escherichia coli BL21(DE3)

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Citations

4 mentions without citation

Overcoming Aminoglycoside Enzymatic Resistance: Design of Novel Antibiotics and Inhibitors.
Zárate et al. (2018)
3 more