› 6nti

Hybrid

Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b

Released:
DOI: 10.2210/pdb6nti/pdb
PDB entry 6nti coloured by chain, front view.
PDB entry 6nti coloured by chain, side view.
PDB entry 6nti coloured by chain, top view.
Source organism: Enterobacteriaceae
Primary publication:
Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Kumar P, Agarwal PK, Waddell MB, Mittag T, Serpersu EH, Cuneo MJ
Angew Chem Int Ed Engl 58 16260-16266 (2019)
PMID: 31515870

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + a 2-deoxystreptamine antibiotic = CoA + N(3)-acetyl-2-deoxystreptamine antibiotic
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111363 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aminoglycoside N(3)-acetyltransferase Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 32.33 KDa
Source organism: Enterobacteriaceae
Expression system: Escherichia coli DH1
UniProt:
  • Canonical: C4NV15 (Residues: 2-300; Coverage: 100%)
Gene names: RCS58_P0024, RCS79_P0021, aacC, aacC6, pAPEC1990_61_126, pAR060302_0140, pAR060302_133, peH4H_0115
Sequence domains: Aminoglycoside 3-N-acetyltransferase

Ligands and Environments

2 bound ligands:
Ligand 9CS 1 x 9CS
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
X-ray source: RIGAKU MICROMAX-007 HF, ORNL Spallation Neutron Source BEAMLINE MANDI
Unit cell:
a: 51.359Å b: 86.058Å c: 77.597Å
α: 90° β: 93.98° γ: 90°
R-values:
R R work R free
0.238 0.237 0.257
Expression system: Escherichia coli DH1

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Citations

2 review citations

On the Case of the Misplaced Hydrogens.
Kumar et al. (2021)
1 more