UniProt P43133
Thermolysin (P43133)
Thermolysin (UniProt P43133), EC 3.4.24.27: 30 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 21 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P43133
- Protein
- Thermolysin
- EC
- 3.4.24.27
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 21 · 5 records with a druggable one
Structures
31 records of P43133 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5DLH | SFX structure of thermolysin | x-ray diffraction | A | ZN, CA | — |
| 5DLH | Sfx structure of thermolysin | x-ray diffraction | A | — | — |
| 5ONP | Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Cd-substituted Thermolysin | x-ray diffraction | A | CA, CD | — |
| 5ONP | ALZHEIMER'S amyloid-beta peptide fragment 1-40 in complex with CD- substituted thermolysin | x-ray diffraction | A | CA, CD | — |
| 5ONQ | Alzheimer's Amyloid-Beta Peptide Fragment 29-40 in Complex with Cd-substituted Thermolysin | x-ray diffraction | A | CA, CD | — |
| 5ONQ | ALZHEIMER'S amyloid-beta peptide fragment 29-40 in complex with CD- substituted thermolysin | x-ray diffraction | A | CA, CD | — |
| 5WR2 | Thermolysin, SFX liganded form with oil-based carrier | x-ray diffraction | A | NX6, ZN, CA | 1 (best 0.51) |
| 5WR2 | Thermolysin, sfx liganded form with oil-based carrier | x-ray diffraction | A | ZN, CA | — |
| 5WR3 | Thermolysin, SFX liganded form with water-based carrier | x-ray diffraction | A | NX6, ZN, CA | 1 (best 0.51) |
| 5WR3 | Thermolysin, sfx liganded form with water-based carrier | x-ray diffraction | A | ZN, CA | — |
| 5WR4 | Thermolysin, SFX unliganded form with oil-based carrier | x-ray diffraction | A | ZN, CA | 1 (best 0.48) |
| 5WR4 | Thermolysin, sfx unliganded form with oil-based carrier | x-ray diffraction | A | ZN, CA | — |
| 5WR5 | Thermolysin, liganded form with cryo condition 1 | x-ray diffraction | A | NX6, ZN, CA | 1 (best 0.49) |
| 5WR5 | Thermolysin, liganded form with cryo condition 1 | x-ray diffraction | A | ZN, CA | — |
| 5WR6 | Thermolysin, liganded form with cryo condition 2 | x-ray diffraction | A | NX6, ZN, CA | 1 (best 0.50) |
| 5WR6 | Thermolysin, liganded form with cryo condition 2 | x-ray diffraction | A | ZN, CA | — |
| 6FHP | DAIP in complex with a C-terminal fragment of thermolysin | x-ray diffraction | C, D | — | 5 (best 0.88) |
| 6FHP | Daip in complex with a C-terminal fragment of thermolysin | x-ray diffraction | C, D | — | — |
| 6FSM | Crystal structure of TCE-treated Thermolysin | x-ray diffraction | A | ZN, CA, PO4 | — |
| 6FSM | Crystal structure of tce-treated thermolysin | x-ray diffraction | A | ZN, CA, PO4 | — |
| 6GHX | Alzheimer's Amyloid-Beta Peptide Fragment 31-35 in Complex with Cd-substituted Thermolysin | x-ray diffraction | A | CA, CD | 1 (best 0.31) |
| 6GHX | ALZHEIMER'S amyloid-beta peptide fragment 31-35 in complex with CD- substituted thermolysin | x-ray diffraction | A | CA, CD | — |
| 6Y4I | Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin | x-ray diffraction | E | CA, ZN, 0PK, CS | 1 (best 0.48) |
| 6Y4I | Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin | x-ray diffraction | E | CA, ZN, CS | — |
| 6YI6 | Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin | x-ray diffraction | E | ZN, CA, CS, ORK | 1 (best 0.46) |
| 6YI6 | Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin | x-ray diffraction | E | ZN, CA, CS, ORK | — |
| 6YMR | Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin | x-ray diffraction | E | ZN, CA, OZE | 1 (best 0.45) |
| 6YMR | Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin | x-ray diffraction | E | ZN, CA, OZE | — |
| 6YMS | Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin | x-ray diffraction | E | CA, ZN, OZH | 1 (best 0.51) |
| 6YMS | Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin | x-ray diffraction | E | CA, ZN, OZH | — |
| P43133 | AlphaFold monomer V2.0 prediction for thermolysin (P43133) | predicted | A | — | 6 (best 0.65) |
Ligands
- CA · Calcium ion · in 27 records
- ZN · Zinc ion · in 21 records
- CD · Cadmium ion · in 6 records
- CS · Cesium ion · in 4 records
- NX6 · N-[(benzyloxy)carbonyl]-L-aspartic acid · in 4 records
- ORK · (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino) ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid · in 2 records
- OZE · (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl) oxidophosphoryl)glycyl-L-leucinate · in 2 records
- OZH · (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino) ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid · in 2 records
- PO4 · Phosphate ion · in 2 records
- 0PK · N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine · in 1 record
Experiment against prediction
- 5WR5 chain A against the predicted model P43133: TM-score 1.00, RMSD 0.21 Å
- 5WR6 chain A against the predicted model P43133: TM-score 1.00, RMSD 0.21 Å
- 6YI6 chain E against the predicted model P43133: TM-score 1.00, RMSD 0.24 Å
- 6YI6 chain E against the predicted model P43133: TM-score 1.00, RMSD 0.24 Å
- 6Y4I chain E against the predicted model P43133: TM-score 1.00, RMSD 0.25 Å
- 5WR2 chain A against the predicted model P43133: TM-score 1.00, RMSD 0.25 Å
- 5WR3 chain A against the predicted model P43133: TM-score 1.00, RMSD 0.26 Å
- 5ONP chain A against the predicted model P43133: TM-score 1.00, RMSD 0.26 Å
- 5ONP chain A against the predicted model P43133: TM-score 1.00, RMSD 0.26 Å
- 5WR4 chain A against the predicted model P43133: TM-score 1.00, RMSD 0.26 Å
Elsewhere
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