UniProt P78536
Disintegrin and metalloproteinase domain-containing protein 17 (P78536)
Disintegrin and metalloproteinase domain-containing protein 17 (UniProt P78536), EC 3.4.24.86: 52 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 41 pockets. Binding sites, druggability and experiment…
- UniProt
- P78536
- Protein
- Disintegrin and metalloproteinase domain-containing protein 17
- EC
- 3.4.24.86
- Experimental structures
- 52
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 41 · 4 records with a druggable one
Structures
53 records of P78536 in the MolNFT archive: 52 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BKC | Catalytic domain of TNF-alpha converting enzyme (tace) | x-ray diffraction | A, C, E, I | — | — |
| 1BKC | Catalytic domain of TNF-alpha converting enzyme (tace) | x-ray diffraction | A, C, E, I | — | — |
| 1ZXC | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | x-ray diffraction | A, B | — | — |
| 1ZXC | Crystal structure of catalytic domain of TNF-alpha converting enzyme (tace) with inhibitor | x-ray diffraction | A, B | — | — |
| 2A8H | Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 2A8H | Crystal structure of catalytic domain of tace with thiomorpholine sulfonamide hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 2DDF | Crystal structure of TACE in complex with TAPI-2 | x-ray diffraction | A, B | — | — |
| 2DDF | Crystal structure of tace in complex with tapi-2 | x-ray diffraction | A, B | — | — |
| 2FV5 | Crystal structure of TACE in complex with IK682 | x-ray diffraction | A, B | — | — |
| 2FV5 | Crystal structure of tace in complex with IK682 | x-ray diffraction | A, B | — | — |
| 2FV9 | Crystal structure of TACE in complex with JMV 390-1 | x-ray diffraction | A, B | — | — |
| 2FV9 | Crystal structure of tace in complex with jmv 390-1 | x-ray diffraction | A, B | — | — |
| 2I47 | Crystal structure of catalytic domain of TACE with inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 2I47 | Crystal structure of catalytic domain of tace with inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 2M2F | The membran-proximal domain of ADAM17 | solution nmr | A | — | — |
| 2M2F | The membran-proximal domain of ADAM17 | solution nmr | A | — | — |
| 2OI0 | Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide | x-ray diffraction | A | — | — |
| 2OI0 | Crystal structure analysis 0F the TNF-a coverting enzyme (tace) in complexed with aryl-sulfonamide | x-ray diffraction | A | — | — |
| 3B92 | Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl… | x-ray diffraction | A | — | — |
| 3B92 | Novel thio-based tace inhibitors part 2: rational design, synthesis and sar of thiol-contaning aryl… | x-ray diffraction | A | — | — |
| 3CKI | Crystal structure of the TACE-N-TIMP-3 complex | x-ray diffraction | A | — | — |
| 3CKI | Crystal structure of the tace-N-timp-3 complex | x-ray diffraction | A | — | — |
| 3E8R | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 3E8R | Crystal structure of catalytic domain of tace with hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 3EDZ | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 3EDZ | Crystal structure of catalytic domain of tace with hydroxamate inhibitor | x-ray diffraction | A, B | — | — |
| 3EWJ | Crystal structure of catalytic domain of TACE with carboxylate inhibitor | x-ray diffraction | A, B | — | — |
| 3EWJ | Crystal structure of catalytic domain of tace with carboxylate inhibitor | x-ray diffraction | A, B | — | — |
| 3G42 | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3G42 | Crystal structure of tace with tryptophan sulfonamide derivative inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3KMC | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | x-ray diffraction | A, B | — | — |
| 3KMC | Crystal structure of catalytic domain of tace with tartrate-based inhibitor | x-ray diffraction | A, B | — | — |
| 3KME | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | x-ray diffraction | A, B | — | — |
| 3KME | Crystal structure of catalytic domain of tace with phenyl- pyrrolidinyl-tartrate inhibitor | x-ray diffraction | A, B | — | — |
| 3L0T | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3L0T | Crystal structure of catalytic domain of tace with hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3L0V | Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1'… | x-ray diffraction | A, B | — | — |
| 3L0V | Crystal structure of catalytic domain of tace with the first hydantoin inhibitor occupying the S1'… | x-ray diffraction | A, B | — | — |
| 3LE9 | Crystal structure of the catalytic domain of TACE with Indazoli -phenyl-hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3LE9 | Crystal structure of the catalytic domain of tace with indazolinone- phenyl-hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3LEA | Crystal structure of the catalytic domain of TACE with Isoindoli -biphenyl-hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3LEA | Crystal structure of the catalytic domain of tace with isoindolinone- biphenyl-hydantoin inhibitor | x-ray diffraction | A, B | — | — |
| 3LGP | Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor | x-ray diffraction | A, B | — | — |
| 3LGP | Crystal structure of catalytic domain of tace with benzimidazolyl- thienyl-tartrate based inhibitor | x-ray diffraction | A, B | — | — |
| 3O64 | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based… | x-ray diffraction | A, B | — | — |
| 3O64 | Crystal structure of catalytic domain of tace with 2-(2-aminothiazol- 4-YL)PYRROLIDINE-based… | x-ray diffraction | A, B | — | — |
| 8CQY | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | x-ray diffraction | B | — | — |
| 8SNL | Structure of human ADAM17/iRhom2 sheddase complex | electron microscopy | A | ZN, CA | 14 (best 0.71) |
| 8SNM | Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain | electron microscopy | A, B | ZN, CA | 13 (best 0.70) |
| 8SNN | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 | electron microscopy | A | CA | 6 (best 0.75) |
| 8SNO | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 | electron microscopy | A | CA | 5 (best 0.75) |
| 9E6K | Fully human monoclonal antibody targeting the cysteine-rich substrate-interacting region of ADAM17… | electron microscopy | C | — | 3 (best 0.49) |
| P78536 | AlphaFold monomer V2.0 prediction for disintegrin and metalloproteinase domain-containing protein… | predicted | A | — | — |
Ligands
Experiment against prediction
- 3G42 chain D against the predicted model P78536: TM-score 0.99, RMSD 0.78 Å
- 3G42 chain D against the predicted model P78536: TM-score 0.99, RMSD 0.78 Å
- 3G42 chain B against the predicted model P78536: TM-score 0.98, RMSD 0.87 Å
- 3G42 chain B against the predicted model P78536: TM-score 0.98, RMSD 0.87 Å
- 3G42 chain C against the predicted model P78536: TM-score 0.98, RMSD 0.88 Å
- 3G42 chain C against the predicted model P78536: TM-score 0.98, RMSD 0.88 Å
- 2I47 chain C against the predicted model P78536: TM-score 0.98, RMSD 0.92 Å
- 2I47 chain C against the predicted model P78536: TM-score 0.98, RMSD 0.92 Å
- 2I47 chain B against the predicted model P78536: TM-score 0.98, RMSD 0.83 Å
- 2I47 chain B against the predicted model P78536: TM-score 0.98, RMSD 0.83 Å
Elsewhere
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