UniProt Q96P20
NACHT, LRR and PYD domains-containing protein 3 (Q96P20)
NACHT, LRR and PYD domains-containing protein 3 (UniProt Q96P20): 11 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 29 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q96P20
- Protein
- NACHT, LRR and PYD domains-containing protein 3
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 29 · 2 records with a druggable one
Structures
12 records of Q96P20 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2NAQ | 3D NMR solution structure of NLRP3 PYD | solution nmr | A | — | — |
| 2NAQ | 3D NMR solution structure of NLRP3 pyd | solution nmr | A | — | — |
| 3QF2 | Crystal structure of NALP3 PYD | x-ray diffraction | A, B | — | — |
| 3QF2 | Crystal structure of NALP3 pyd | x-ray diffraction | A, B | — | — |
| 6NPY | Cryo-EM structure of NLRP3 bound to NEK7 | electron microscopy | A | ADP | 17 (best 0.88) |
| 6NPY | Cryo-EM structure of NLRP3 bound to NEK7 | electron microscopy | A | ADP | — |
| 7ALV | Crystal structure of NLRP3 nacht domain in complex with a potent inhibitor | x-ray diffraction | A | RM5, ADP | — |
| 7PZC | Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3 | electron microscopy | A, B, C, D, E, F, G, H, I, J | ADP, 8GI | — |
| 7PZD | Cryo-EM structure of the NLRP3 pyd filament | electron microscopy | G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X | — | — |
| 7VTP | Cryo-EM structure of pyd-deleted human NLRP3 hexamer | electron microscopy | A, B, C, D, E, F | ADP, 7YN | — |
| 7ZGU | Human NLRP3-deltapyd hexamer | electron microscopy | A, B, C, D, E, F | ADP | — |
| Q96P20 | AlphaFold monomer V2.0 prediction for nacht, lrr and pyd domains- containing protein 3 (Q96P20) | predicted | A | — | 12 (best 0.75) |
Ligands
- ADP · Adenosine-5'-diphosphate · in 6 records
- 7YN · 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2, 3,5-tetrahydro-S-indacen-4-yl)urea · in 1 record
- 8GI · 1-(1,2,3,5,6,7-hexahydro-S-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea · in 1 record
- RM5 · 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea · in 1 record
Experiment against prediction
- 3QF2 chain A against the predicted model Q96P20: TM-score 0.98, RMSD 0.50 Å
- 3QF2 chain A against the predicted model Q96P20: TM-score 0.98, RMSD 0.50 Å
- 7PZD chain G against the predicted model Q96P20: TM-score 0.98, RMSD 0.53 Å
- 3QF2 chain B against the predicted model Q96P20: TM-score 0.84, RMSD 1.43 Å
- 3QF2 chain B against the predicted model Q96P20: TM-score 0.84, RMSD 1.43 Å
- 2NAQ chain A against the predicted model Q96P20: TM-score 0.73, RMSD 2.51 Å
- 2NAQ chain A against the predicted model Q96P20: TM-score 0.73, RMSD 2.51 Å
- 7VTP chain A against the predicted model Q96P20: TM-score 0.69, RMSD 3.91 Å
- 7ZGU chain A against the predicted model Q96P20: TM-score 0.67, RMSD 4.48 Å
- 7PZC chain B against the predicted model Q96P20: TM-score 0.65, RMSD 4.43 Å
Elsewhere
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