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Structure paper

TitleEncoding of Promiscuity in an Aminoglycoside Acetyltransferase.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 10218-10227, Year 2018
Publish dateAug 29, 2018 (structure data deposition date)
AuthorsKumar, P. / Selvaraj, B. / Serpersu, E.H. / Cuneo, M.J.
External linksJ. Med. Chem. / PubMed:30347146
MethodsX-ray diffraction
Resolution1.6 - 2.5 Å
Structure data

PDB-6mb4:
Binary (sisomicin) structure of AAC-IIIb
Method: X-RAY DIFFRACTION / Resolution: 2.302 Å

PDB-6mb5:
AAC-IIIb binary with NEOMYCIN
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6mb6:
AAC-IIIb binary with CoASH
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-6mb7:
Binary (paromomycin) structure of AAC-IIIb
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6mb8:
Apo structure of AAC-IIIb
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6mb9:
Ternary (neomycin/CoA) structure of AAC-IIIb
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SIS:
(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside / antibiotic*YM

ChemComp-HOH:
WATER

ChemComp-NMY:
NEOMYCIN / antibiotic*YM

ChemComp-COA:
COENZYME A

ChemComp-MLI:
MALONATE ION

ChemComp-PAR:
PAROMOMYCIN / Antimicrobial, medication*YM

ChemComp-CL:
Unknown entry

ChemComp-2PE:
NONAETHYLENE GLYCOL / precipitant*YM

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsTRANSFERASE/ANTIBIOTIC / acetyltransferase / promiscuity / GNAT / antibiotic resistance / ANTIBIOTIC / TRANSFERASE-ANTIBIOTIC complex / TRANSFERASE

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