UniProt Q52424
Aminoglycoside 2'-N-acetyltransferase (Q52424)
Aminoglycoside 2'-N-acetyltransferase (UniProt Q52424), EC 2.3.1.59: 12 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 38 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q52424
- Protein
- Aminoglycoside 2'-N-acetyltransferase
- EC
- 2.3.1.59
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 38 · 6 records with a druggable one
Structures
13 records of Q52424 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5US1 | Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | 8MM, ACO, COA | 20 (best 0.83) |
| 5US1 | Crystal structure of aminoglycoside acetyltransferase AAC(2')-ia in complex with… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | 8MM, ACO, COA | — |
| 6VOU | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA | x-ray diffraction | A, B | COA, TCE, PZC | 5 (best 0.59) |
| 6VOU | Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with acetylated-plazomicin and CoA | x-ray diffraction | A, B | COA, TCE, PZC | — |
| 6VR2 | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-tobramycin and CoA | x-ray diffraction | A, B | R7Y, COA | 4 (best 0.61) |
| 6VR2 | Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with acetylated-tobramycin and CoA | x-ray diffraction | A, B | R7Y, COA | — |
| 6VR3 | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-netilmicin and CoA | x-ray diffraction | A, B | NTL, COA | 4 (best 0.63) |
| 6VR3 | Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with acetylated-netilmicin and CoA | x-ray diffraction | A, B | NTL, COA | — |
| 6VTA | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with amikacin and acetyl-CoA | x-ray diffraction | A, B | ACO, AKN | 4 (best 0.64) |
| 6VTA | Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with amikacin and acetyl-CoA | x-ray diffraction | A, B | ACO, AKN | — |
| 7JZS | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA | x-ray diffraction | A | COA, SO4 | 1 (best 0.62) |
| 7JZS | Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with CoA | x-ray diffraction | A | COA, SO4 | — |
| Q52424 | AlphaFold monomer V2.0 prediction for aminoglycoside 2'-N-acetyltransferase (Q52424) | predicted | A | — | — |
Ligands
- COA · Coenzyme A · in 10 records
- ACO · Acetyl coenzyme *A · in 4 records
- 8MM · (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside · in 2 records
- AKN · (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide · in 2 records
- NTL · N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide · in 2 records
- PZC · (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide · in 2 records
- R7Y · (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside · in 2 records
- SO4 · Sulfate ion · in 2 records
- TCE · 3,3',3''-phosphanetriyltripropanoic acid · in 2 records
Experiment against prediction
- 6VR3 chain A against the predicted model Q52424: TM-score 0.99, RMSD 0.63 Å
- 6VR3 chain A against the predicted model Q52424: TM-score 0.99, RMSD 0.63 Å
- 6VR3 chain B against the predicted model Q52424: TM-score 0.99, RMSD 0.61 Å
- 6VR3 chain B against the predicted model Q52424: TM-score 0.99, RMSD 0.61 Å
- 6VOU chain A against the predicted model Q52424: TM-score 0.99, RMSD 0.64 Å
- 6VOU chain A against the predicted model Q52424: TM-score 0.99, RMSD 0.64 Å
- 5US1 chain F against the predicted model Q52424: TM-score 0.99, RMSD 0.61 Å
- 5US1 chain F against the predicted model Q52424: TM-score 0.99, RMSD 0.61 Å
- 5US1 chain D against the predicted model Q52424: TM-score 0.99, RMSD 0.62 Å
- 5US1 chain D against the predicted model Q52424: TM-score 0.99, RMSD 0.62 Å
Elsewhere
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