UniProt B9V973
Macrocypin-1a (B9V973)
Macrocypin-1a (UniProt B9V973): 3 experimental structures and 1 predicted model on GenesisL1, 1 ligand bound, 8 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- B9V973
- Protein
- Macrocypin-1a
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 1
- Pockets
- 8 · 1 record with a druggable one
Structures
4 records of B9V973 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3H6Q | Macrocypin, a beta-trefoil cysteine protease inhibitor | x-ray diffraction | A | — | — |
| 3H6Q | Macrocypin, a beta-trefoil cysteine protease inhibitor | x-ray diffraction | A | — | — |
| 8AE5 | Crystal structure of human legumain in complex with macrocypin 1a | x-ray diffraction | C, D | SO4 | 7 (best 0.62) |
| B9V973 | AlphaFold monomer V2.0 prediction for macrocypin-1A (B9V973) | predicted | A | — | 1 (best 0.24) |
Ligands
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 8AE5 chain D against the predicted model B9V973: TM-score 0.97, RMSD 1.12 Å
- 3H6Q chain A against the predicted model B9V973: TM-score 0.95, RMSD 1.37 Å
- 3H6Q chain A against the predicted model B9V973: TM-score 0.95, RMSD 1.37 Å
- 8AE5 chain C against the predicted model B9V973: TM-score 0.95, RMSD 1.26 Å
Elsewhere
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