UniProt P55212
Procaspase-6 (P55212)
Procaspase-6 (UniProt P55212), EC 3.4.22.59: 49 experimental structures and 1 predicted model on GenesisL1, 1 ligand bound, 11 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P55212
- Protein
- Procaspase-6
- EC
- 3.4.22.59
- Experimental structures
- 49
- Predicted models
- 1
- Ligands
- 1
- Pockets
- 11 · 1 record with a druggable one
Structures
50 records of P55212 in the MolNFT archive: 49 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2WDP | Crystal Structure of Ligand Free Human Caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 2WDP | Crystal structure of ligand free human caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 3K7E | Crystal structure of human ligand-free mature caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 3K7E | Crystal structure of human ligand-free mature caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 3NKF | Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached | x-ray diffraction | A, B, C, D | — | — |
| 3NKF | Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached | x-ray diffraction | A, B, C, D | — | — |
| 3NR2 | Crystal structure of Caspase-6 zymogen | x-ray diffraction | A, B | — | — |
| 3NR2 | Crystal structure of caspase-6 zymogen | x-ray diffraction | A, B | — | — |
| 3OD5 | Crystal structure of active caspase-6 bound with Ac-VEID-CHO | x-ray diffraction | A, B | — | — |
| 3OD5 | Crystal structure of active caspase-6 bound with ac-veid-cho | x-ray diffraction | A, B | — | — |
| 3P45 | Crystal structure of apo-caspase-6 at physiological pH | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | — | — |
| 3P45 | Crystal structure of apo-caspase-6 at physiological pH | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | — | — |
| 3P4U | Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3P4U | Crystal structure of active caspase-6 in complex with ac-veid-cho inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3QNW | Caspase-6 in complex with Z-VAD-FMK inhibitor | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3QNW | Caspase-6 in complex with Z-vad-fmk inhibitor | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3S70 | Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD | x-ray diffraction | A, C | — | — |
| 3S70 | Crystal structure of active caspase-6 bound with ac-veid-cho solved by as-sad | x-ray diffraction | A, C | — | — |
| 3S8E | Phosphorylation regulates assembly of the caspase-6 substrate-binding groove | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3S8E | Phosphorylation regulates assembly of the caspase-6 substrate-binding groove | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3V6L | Crystal Structure of caspase-6 inactivation mutation | x-ray diffraction | A, B | — | — |
| 3V6L | Crystal structure of caspase-6 inactivation mutation | x-ray diffraction | A, B | — | — |
| 3V6M | Inhibition of caspase-6 activity by single mutation outside the active site | x-ray diffraction | A, B, C, D, F, G, I, J | — | — |
| 3V6M | Inhibition of caspase-6 activity by single mutation outside the active site | x-ray diffraction | A, B, C, D, F, G, I, J | — | — |
| 4EJF | Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization | x-ray diffraction | A, B, C, D | — | — |
| 4EJF | Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization | x-ray diffraction | A, B, C, D | — | — |
| 4FXO | Zinc-mediated allosteric inhibiton of caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 4FXO | Zinc-mediated allosteric inhibiton of caspase-6 | x-ray diffraction | A, B, C, D | — | — |
| 4HVA | Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6 | x-ray diffraction | A, B | — | — |
| 4HVA | Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6 | x-ray diffraction | A, B | — | — |
| 4IYR | Crystal structure of full-length caspase-6 zymogen | x-ray diffraction | A, B | — | — |
| 4IYR | Crystal structure of full-length caspase-6 zymogen | x-ray diffraction | A, B | — | — |
| 4N5D | Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 | x-ray diffraction | A, B | — | — |
| 4N5D | Tailoring small molecules for an allosteric site on procaspase-6: CPD1 | x-ray diffraction | A, B | — | — |
| 4N6G | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4N6G | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 4N7J | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4N7J | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 4N7M | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4N7M | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBK | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBK | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBL | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBL | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBN | Tailoring Small Molecules for an Allosteric Site on Procaspase-6 | x-ray diffraction | A, B | — | — |
| 4NBN | Tailoring small molecules for an allosteric site on procaspase-6 | x-ray diffraction | A, B | — | — |
| 6DEU | Human caspase-6 A109T | x-ray diffraction | A, B | — | — |
| 6DEV | Human caspase-6 E35K | x-ray diffraction | A, B, C, D | — | — |
| 8F99 | Compound 10 bound to procaspase-6 | x-ray diffraction | A, B, C, D | XMR | 11 (best 0.73) |
| P55212 | AlphaFold monomer V2.0 prediction for caspase-6 (P55212) | predicted | A | — | — |
Ligands
- XMR · 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol · in 1 record
Experiment against prediction
- 3P45 chain G against the predicted model P55212: TM-score 0.99, RMSD 0.40 Å
- 3P45 chain G against the predicted model P55212: TM-score 0.99, RMSD 0.40 Å
- 3P45 chain C against the predicted model P55212: TM-score 0.99, RMSD 0.43 Å
- 3P45 chain C against the predicted model P55212: TM-score 0.99, RMSD 0.43 Å
- 3P45 chain E against the predicted model P55212: TM-score 0.99, RMSD 0.43 Å
- 3P45 chain E against the predicted model P55212: TM-score 0.99, RMSD 0.43 Å
- 3P45 chain O against the predicted model P55212: TM-score 0.99, RMSD 0.44 Å
- 3P45 chain O against the predicted model P55212: TM-score 0.99, RMSD 0.44 Å
- 3P45 chain I against the predicted model P55212: TM-score 0.99, RMSD 0.46 Å
- 3P45 chain I against the predicted model P55212: TM-score 0.99, RMSD 0.46 Å
Elsewhere
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