› 6bbz

Hybrid

Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa

Released:
DOI: 10.2210/pdb6bbz/pdb
PDB entry 6bbz coloured by chain, front view.
PDB entry 6bbz coloured by chain, side view.
PDB entry 6bbz coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Kumar P, Serpersu EH, Cuneo MJ
OpenAccess logo Sci Adv 4 eaas8667 (2018)
PMID: 29632894

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-175208 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aminoglycoside N(3)-acetyltransferase Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 32.34 KDa
Source organism: Enterobacter cloacae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q47030 (Residues: 1-299; Coverage: 100%)
Gene name: aac 3-VI
Sequence domains: Aminoglycoside 3-N-acetyltransferase

Ligands and Environments

2 bound ligands:
Ligand SIS 1 x SIS
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: 50.822Å b: 86.169Å c: 76.9Å
α: 90° β: 94.55° γ: 90°
R-values:
R R work R free
0.152 0.15 0.181
Expression system: Escherichia coli

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Citations

1 review citation

On the Case of the Misplaced Hydrogens.
Kumar et al. (2021)
15 other articles

3 mentions without citation

Low barrier hydrogen bonds in protein structure and function.
Kemp et al. (2021)
2 more