UniProt Q2FDS6
Fluorophosphonate-binding serine hydrolase E (Q2FDS6)
Fluorophosphonate-binding serine hydrolase E (UniProt Q2FDS6), EC 3.-.-.-: 9 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 28 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q2FDS6
- Protein
- Fluorophosphonate-binding serine hydrolase E
- EC
- 3.-.-.-
- Experimental structures
- 9
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 28 · 9 records with a druggable one
Structures
10 records of Q2FDS6 in the MolNFT archive: 9 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8G48 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form | x-ray diffraction | A | — | 2 (best 0.42) |
| 8G49 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3… | x-ray diffraction | A | YKF | 3 (best 0.55) |
| 8SBQ | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, fluorophosphonate JB101… | x-ray diffraction | A, B | ZUV, MG | 3 (best 0.78) |
| 8T87 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal… | x-ray diffraction | A, B | MG | 3 (best 0.76) |
| 8T88 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound | x-ray diffraction | A, B | YW0, MG | 3 (best 0.78) |
| 8TFW | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based… | x-ray diffraction | A, B | ZKR, MG | 3 (best 0.76) |
| 8UGM | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based… | x-ray diffraction | A, B | WKK, CA | 3 (best 0.78) |
| 8UIX | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based… | x-ray diffraction | A, B | WS8 | 3 (best 0.77) |
| 8UWM | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, borolane-based compound… | x-ray diffraction | A, B | XPU, CA | 4 (best 0.78) |
| Q2FDS6 | AlphaFold monomer V2.0 prediction for uncharacterized hydrolase SAUSA300_2518 (Q2FDS6) | predicted | A | — | 1 (best 0.72) |
Ligands
- MG · Magnesium ion · in 4 records
- CA · Calcium ion · in 2 records
- WKK · 1-benzothiophen-3-ylboronic acid · in 1 record
- WS8 · (3,5-dimethoxyphenyl)boronic acid · in 1 record
- XPU · 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide · in 1 record
- YKF · methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate · in 1 record
- YW0 · methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate · in 1 record
- ZKR · [5-(trifluoromethyl)thiophen-2-yl]boronic acid · in 1 record
- ZUV · ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate · in 1 record
Experiment against prediction
- 8G48 chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.18 Å
- 8UWM chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.41 Å
- 8UIX chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.13 Å
- 8UWM chain B against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.44 Å
- 8TFW chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.51 Å
- 8G49 chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.23 Å
- 8UGM chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.55 Å
- 8SBQ chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.56 Å
- 8T87 chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.54 Å
- 8T88 chain A against the predicted model Q2FDS6: TM-score 0.55, RMSD 1.59 Å
Elsewhere
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