UniProt B7UZI4
UDP-3-O-acyl-N-acetylglucosamine deacetylase (B7UZI4)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (UniProt B7UZI4), EC 3.5.1.108: 11 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 30 pockets. Binding sites, druggability and experiment against…
- UniProt
- B7UZI4
- Protein
- UDP-3-O-acyl-N-acetylglucosamine deacetylase
- EC
- 3.5.1.108
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 30 · 8 records with a druggable one
Structures
12 records of B7UZI4 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6CAX | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT805 | x-ray diffraction | A | EUY, ZN, CL | 3 (best 0.68) |
| 6CAX | Crystal structure of lpxc from pseudomonas aeruginosa in complex with PT805 | x-ray diffraction | A | EUY, ZN, CL | — |
| 6DUI | Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT801 | x-ray diffraction | A | HAY, J1M, ZN, CL | 4 (best 0.73) |
| 6DUI | Crystal structure of lpxc from pseudomonas aeruginosa in complex with PT801 | x-ray diffraction | A | HAY, J1M, ZN, CL | — |
| 6I46 | Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3… | x-ray diffraction | AAA | ZN, H2N | — |
| 6I47 | Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindo… | x-ray diffraction | AAA | ZN, UNY, UNZ | 3 (best 0.73) |
| 6I48 | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrr… | x-ray diffraction | AAA | ZN, H2H | 3 (best 0.73) |
| 6I49 | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4… | x-ray diffraction | AAA, BBB | ZN, H2Z | 7 (best 0.69) |
| 6I4A | Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropy… | x-ray diffraction | AAA | ZN, H2Q | 4 (best 0.72) |
| 6MOD | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | x-ray diffraction | A | MG, JWV | 4 (best 0.70) |
| 6MOD | Co-crystal structure of P. aeruginosa lpxc-50432 complex | x-ray diffraction | A | MG, JWV | — |
| B7UZI4 | AlphaFold monomer V2.0 prediction for udp-3-O-acyl-N- acetylglucosamine deacetylase (B7UZI4) | predicted | A | — | 2 (best 0.66) |
Ligands
- ZN · Zinc ion · in 9 records
- CL · Chloride ion · in 4 records
- EUY · (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide · in 2 records
- HAY · (2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide · in 2 records
- J1M · (2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide · in 2 records
- JWV · N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide · in 2 records
- MG · Magnesium ion · in 2 records
- H2H · (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide · in 1 record
- H2N · (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide · in 1 record
- H2Q · (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide · in 1 record
- H2Z · (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide · in 1 record
- UNY · (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide · in 1 record
- UNZ · (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide · in 1 record
Experiment against prediction
- 6I49 chain BBB against the predicted model B7UZI4: TM-score 0.99, RMSD 0.91 Å
- 6I47 chain AAA against the predicted model B7UZI4: TM-score 0.99, RMSD 0.82 Å
- 6DUI chain A against the predicted model B7UZI4: TM-score 0.99, RMSD 0.70 Å
- 6DUI chain A against the predicted model B7UZI4: TM-score 0.99, RMSD 0.70 Å
- 6I4A chain AAA against the predicted model B7UZI4: TM-score 0.99, RMSD 0.82 Å
- 6CAX chain A against the predicted model B7UZI4: TM-score 0.99, RMSD 0.89 Å
- 6CAX chain A against the predicted model B7UZI4: TM-score 0.99, RMSD 0.89 Å
- 6MOD chain A against the predicted model B7UZI4: TM-score 0.98, RMSD 0.91 Å
- 6MOD chain A against the predicted model B7UZI4: TM-score 0.98, RMSD 0.91 Å
- 6I49 chain AAA against the predicted model B7UZI4: TM-score 0.98, RMSD 1.05 Å
Elsewhere
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