UniProt P08246
Neutrophil elastase (P08246)
Neutrophil elastase (UniProt P08246), EC 3.4.21.37: 54 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 88 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P08246
- Protein
- Neutrophil elastase
- EC
- 3.4.21.37
- Experimental structures
- 54
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 88 · 10 records with a druggable one
Structures
55 records of P08246 in the MolNFT archive: 54 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B0F | Crystal structure of human neutrophil elastase with mdl 101, 146 | x-ray diffraction | A | — | — |
| 1B0F | Crystal structure of human neutrophil elastase with mdl 101, 146 | x-ray diffraction | A | — | — |
| 1H1B | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | x-ray diffraction | A, B | — | — |
| 1H1B | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | x-ray diffraction | A, B | — | — |
| 1HNE | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at… | x-ray diffraction | E | — | — |
| 1HNE | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at… | x-ray diffraction | E | — | — |
| 1PPF | X-ray crystal structure of the complex of human leukocyte elastase (pmn elastase) and the third… | x-ray diffraction | E | — | — |
| 1PPF | X-ray crystal structure of the complex of human leukocyte elastase (pmn elastase) and the third… | x-ray diffraction | E | — | — |
| 1PPG | The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine… | x-ray diffraction | E | — | — |
| 1PPG | The refined 2.3 ångströms crystal structure of human leukocyte elastase in a complex with a valine… | x-ray diffraction | E | — | — |
| 2RG3 | Covalent complex structure of elastase | x-ray diffraction | A | — | — |
| 2RG3 | Covalent complex structure of elastase | x-ray diffraction | A | — | — |
| 2Z7F | Crystal structure of the complex of human neutrophil elastase with 1/2SLPI | x-ray diffraction | E | — | — |
| 2Z7F | Crystal structure of the complex of human neutrophil elastase with 1/2SLPI | x-ray diffraction | E | — | — |
| 3Q76 | Structure of human neutrophil elastase (uncomplexed) | x-ray diffraction | A, B | — | — |
| 3Q76 | Structure of human neutrophil elastase (uncomplexed) | x-ray diffraction | A, B | — | — |
| 3Q77 | Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 3Q77 | Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 4NZL | Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases | x-ray diffraction | A | — | — |
| 4NZL | Extracellular proteins of staphylococcus aureus inhibit the neutrophil serine proteases | x-ray diffraction | A | — | — |
| 4WVP | Crystal structure of an activity-based probe hne complex | x-ray diffraction | E | — | — |
| 5A09 | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | NAG, FUC, JJD | 1 (best 0.44) |
| 5A09 | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A0A | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | E | — | — |
| 5A0A | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | E | — | — |
| 5A0B | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A0B | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A0C | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A, B | — | — |
| 5A0C | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A, B | — | — |
| 5A8X | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A8X | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A8Y | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A8Y | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A8Z | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5A8Z | Crystal structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | x-ray diffraction | A | — | — |
| 5ABW | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | x-ray diffraction | A | NAG, FUC, WQQ, CL | 1 (best 0.48) |
| 5ABW | Neutrophil elastase inhibitors for the treatment of (CARDIO)PULMONARY diseases | x-ray diffraction | A | — | — |
| 6E69 | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | x-ray diffraction | A, B, C, D | NAG, FUC, HVP | 8 (best 0.64) |
| 6E69 | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | x-ray diffraction | A, B, C, D | NAG, FUC, HVP | — |
| 6F5M | Crystal structure of highly glycosylated human leukocyte elastase in complex with a… | x-ray diffraction | A, B | NAG, FUC, SO4, CQH | — |
| 6F5M | Crystal structure of highly glycosylated human leukocyte elastase in complex with a… | x-ray diffraction | A, B | NAG, FUC, SO4, CQH | — |
| 6SMA | Crystal structure of human neutrophil elastase (hne) in complex with the 3-oxo-beta-sultam… | x-ray diffraction | A, B, C | NAG, FUC, BR, LKK | — |
| 7CBK | Structure of Human Neutrophil Elastase Ecotin complex | x-ray diffraction | D, B | NAG, FUC, SO4, MG | 10 (best 0.82) |
| 7CBK | Structure of human neutrophil elastase ecotin complex | x-ray diffraction | D, B | NAG, FUC, SO4, MG | — |
| 7WHU | Human neutrophil elastase in-complex with ecotin peptide | x-ray diffraction | D, A, B, C | NAG, FUC, SO4 | — |
| 8D7I | Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus | x-ray diffraction | A, D, G, J, M, P | — | 16 (best 0.70) |
| 8G24 | Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5 | x-ray diffraction | B | NAG | 4 (best 0.68) |
| 8G25 | Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5 | x-ray diffraction | B, E, H | — | 11 (best 0.70) |
| 8G26 | Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 8.5 | x-ray diffraction | B | NAG | 5 (best 0.59) |
| 8QGX | Complex between human neutrophil elastase with nanobody NbE201 | x-ray diffraction | A | NAG, FUC, PO4 | 3 (best 0.56) |
| 9ASS | Crystal Structure of Neutrophil Elastase Inhibited by Eap4 from S. aureus | x-ray diffraction | A | NAG, FUC, SO4 | 3 (best 0.65) |
| 9ASX | BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap3 of S. aureus | x-ray diffraction | B | NAG, FUC | 3 (best 0.42) |
| 9ATK | BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus | x-ray diffraction | A, D, G, J | NAG, FUC | 13 (best 0.82) |
| 9ATU | Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus | x-ray diffraction | A, C, D, F | NAG, FUC | 10 (best 0.80) |
| P08246 | AlphaFold monomer V2.0 prediction for neutrophil elastase (P08246) | predicted | A | — | — |
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 17 records
- FUC · alpha-L-fucopyranose · in 15 records
- SO4 · Sulfate ion · in 6 records
- CQH · 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate · in 2 records
- HVP · 2-(fluorosulfonyl)benzene-1-sulfonic acid · in 2 records
- MG · Magnesium ion · in 2 records
- BR · Bromide ion · in 1 record
- CL · Chloride ion · in 1 record
- JJD · 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid · in 1 record
- LKK · 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid · in 1 record
- PO4 · Phosphate ion · in 1 record
- WQQ · 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide · in 1 record
Experiment against prediction
- 5A8X chain A against the predicted model P08246: TM-score 1.00, RMSD 0.34 Å
- 5A8X chain A against the predicted model P08246: TM-score 1.00, RMSD 0.34 Å
- 5A8Y chain A against the predicted model P08246: TM-score 1.00, RMSD 0.35 Å
- 5A8Y chain A against the predicted model P08246: TM-score 1.00, RMSD 0.35 Å
- 4WVP chain E against the predicted model P08246: TM-score 1.00, RMSD 0.37 Å
- 5ABW chain A against the predicted model P08246: TM-score 1.00, RMSD 0.37 Å
- 5ABW chain A against the predicted model P08246: TM-score 1.00, RMSD 0.37 Å
- 5A0B chain A against the predicted model P08246: TM-score 1.00, RMSD 0.38 Å
- 5A0B chain A against the predicted model P08246: TM-score 1.00, RMSD 0.38 Å
- 6SMA chain B against the predicted model P08246: TM-score 0.99, RMSD 0.40 Å
Elsewhere
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