UniProt P07858
Cathepsin B (P07858)
Cathepsin B (UniProt P07858), EC 3.4.22.1: 33 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P07858
- Protein
- Cathepsin B
- EC
- 3.4.22.1
- Experimental structures
- 33
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 19 · 2 records with a druggable one
Structures
34 records of P07858 in the MolNFT archive: 33 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CSB | Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the… | x-ray diffraction | A, B, D, E | — | — |
| 1CSB | Crystal structure of cathepsin B inhibited with CA030 at 2.1 ångströms resolution: a basis for the… | x-ray diffraction | A, B, D, E | — | — |
| 1GMY | Cathepsin B complexed with dipeptidyl nitrile inhibitor | x-ray diffraction | A, B, C | — | — |
| 1GMY | Cathepsin B complexed with dipeptidyl nitrile inhibitor | x-ray diffraction | A, B, C | — | — |
| 1HUC | The refined 2.15 ångströms X-ray crystal structure of human liver cathepsin B: the structural basis… | x-ray diffraction | A, B, C, D | — | — |
| 1HUC | The refined 2.15 ångströms X-ray crystal structure of human liver cathepsin B: the structural basis… | x-ray diffraction | A, B, C, D | — | — |
| 1PBH | Crystal structure of human recombinant procathepsin B at 3.2 ångström resolution | x-ray diffraction | A | — | — |
| 1PBH | Crystal structure of human recombinant procathepsin B at 3.2 ångström resolution | x-ray diffraction | A | — | — |
| 2IPP | Crystal Structure of the tetragonal form of human liver cathepsin B | x-ray diffraction | A, B | — | — |
| 2IPP | Crystal structure of the tetragonal form of human liver cathepsin B | x-ray diffraction | A, B | — | — |
| 2PBH | Crystal structure of human procathepsin B at 3.3 ångström resolution | x-ray diffraction | A | — | — |
| 2PBH | Crystal structure of human procathepsin B at 3.3 ångström resolution | x-ray diffraction | A | — | — |
| 3AI8 | Cathepsin B in complex with the nitroxoline | x-ray diffraction | B, A | — | — |
| 3AI8 | Cathepsin B in complex with the nitroxoline | x-ray diffraction | B, A | — | — |
| 3CBJ | Chagasin-Cathepsin B complex | x-ray diffraction | A | — | — |
| 3CBJ | Chagasin-cathepsin B complex | x-ray diffraction | A | — | — |
| 3CBK | chagasin-cathepsin B | x-ray diffraction | A | — | — |
| 3CBK | Chagasin-cathepsin B | x-ray diffraction | A | — | — |
| 3K9M | Cathepsin B in complex with stefin A | x-ray diffraction | A, B | — | — |
| 3K9M | Cathepsin B in complex with stefin a | x-ray diffraction | A, B | — | — |
| 3PBH | Refined crystal structure of human procathepsin B at 2.5 ångström resolution | x-ray diffraction | A | — | — |
| 3PBH | Refined crystal structure of human procathepsin B at 2.5 ångström resolution | x-ray diffraction | A | — | — |
| 5MBL | Cathepsin B in complex with DARPin 81 | x-ray diffraction | A | — | — |
| 5MBL | Cathepsin B in complex with darpin 81 | x-ray diffraction | A | — | — |
| 5MBM | Cathepsin B in complex with DARPin 8h6 | x-ray diffraction | A, B | — | 9 (best 0.73) |
| 5MBM | Cathepsin B in complex with darpin 8H6 | x-ray diffraction | A, B | — | — |
| 6AY2 | Structure of CathB with covalently linked Compound 28 | x-ray diffraction | A, B | C1G | 4 (best 0.55) |
| 6AY2 | Structure of cathb with covalently linked compound 28 | x-ray diffraction | A, B | C1G | — |
| 8B4T | Human cathepsin B in complex with the carbamate inhibitor 7 | x-ray diffraction | A | P9F | 2 (best 0.49) |
| 8B5F | Human cathepsin B in complex with the carbamate inhibitor 31 | x-ray diffraction | A | P9U | 1 (best 0.48) |
| 8HE9 | Crystal structure of CTSB in complex with K777 | x-ray diffraction | A | 0IW | 1 (best 0.43) |
| 8HEI | Crystal structure of CTSB in complex with E64d | x-ray diffraction | A | E6D | 1 (best 0.49) |
| 8HEN | Crystal structure of CTSB in complex with 212-148 | x-ray diffraction | A | L4F | 1 (best 0.49) |
| P07858 | AlphaFold monomer V2.0 prediction for cathepsin B (P07858) | predicted | A | — | — |
Ligands
- C1G · N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide · in 2 records
- 0IW · Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide · in 1 record
- E6D · ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate · in 1 record
- L4F · 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate · in 1 record
- P9F · (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid · in 1 record
- P9U · (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid · in 1 record
Experiment against prediction
- 8HEN chain A against the predicted model P07858: TM-score 0.98, RMSD 0.74 Å
- 8HE9 chain A against the predicted model P07858: TM-score 0.98, RMSD 0.76 Å
- 5MBL chain A against the predicted model P07858: TM-score 0.98, RMSD 0.76 Å
- 5MBL chain A against the predicted model P07858: TM-score 0.98, RMSD 0.76 Å
- 8B4T chain A against the predicted model P07858: TM-score 0.98, RMSD 0.78 Å
- 6AY2 chain A against the predicted model P07858: TM-score 0.98, RMSD 0.79 Å
- 6AY2 chain A against the predicted model P07858: TM-score 0.98, RMSD 0.79 Å
- 8HEI chain A against the predicted model P07858: TM-score 0.98, RMSD 0.79 Å
- 8B5F chain A against the predicted model P07858: TM-score 0.98, RMSD 0.78 Å
- 6AY2 chain B against the predicted model P07858: TM-score 0.98, RMSD 0.80 Å
Elsewhere
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