UniProt P28511
Hirudin IIIB' (P28511)
Hirudin IIIB' (UniProt P28511): 18 experimental structures and 1 predicted model on GenesisL1, 1 ligand bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P28511
- Protein
- Hirudin IIIB'
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 1
- Pockets
- 20 · 18 records with a druggable one
Structures
19 records of P28511 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1D6W | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl… | x-ray diffraction | I | — | 1 (best 0.55) |
| 1D6W | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl… | x-ray diffraction | I | — | 1 (best 0.55) |
| 1O5G | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial… | x-ray diffraction | I | — | 1 (best 0.56) |
| 1O5G | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial… | x-ray diffraction | I | — | 1 (best 0.56) |
| 1Z71 | thrombin and P2 pyridine N-oxide inhibitor complex structure | x-ray diffraction | B | — | 1 (best 0.56) |
| 1Z71 | Thrombin and P2 pyridine N-oxide inhibitor complex structure | x-ray diffraction | B | — | 1 (best 0.56) |
| 1ZGI | thrombin in complex with an oxazolopyridine inhibitor 21 | x-ray diffraction | B | — | 1 (best 0.54) |
| 1ZGI | Thrombin in complex with an oxazolopyridine inhibitor 21 | x-ray diffraction | B | — | 1 (best 0.54) |
| 1ZGV | Thrombin in complex with an oxazolopyridine inhibitor 2 | x-ray diffraction | B | — | 1 (best 0.54) |
| 1ZGV | Thrombin in complex with an oxazolopyridine inhibitor 2 | x-ray diffraction | B | — | 1 (best 0.54) |
| 2BDY | thrombin in complex with inhibitor | x-ray diffraction | B | — | 1 (best 0.53) |
| 2BDY | Thrombin in complex with inhibitor | x-ray diffraction | B | — | 1 (best 0.53) |
| 3C1K | Crystal structure of thrombin in complex with inhibitor 15 | x-ray diffraction | B | — | 1 (best 0.54) |
| 3C1K | Crystal structure of thrombin in complex with inhibitor 15 | x-ray diffraction | B | — | 1 (best 0.54) |
| 5AFY | Thrombin in complex with 3-chloro-benzamide | x-ray diffraction | I | TYS | 2 (best 0.55) |
| 5AFZ | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4… | x-ray diffraction | I | TYS | 2 (best 0.51) |
| 5AHG | Thrombin in complex with ((4-chlorophenyl)sulfamoyl))diemethylamine | x-ray diffraction | I | — | 1 (best 0.56) |
| 5AHG | Thrombin in complex with ((4-CHLOROPHENYL)SULFAMOYL))DIEMETHYLAMINE | x-ray diffraction | I | — | 1 (best 0.56) |
| P28511 | AlphaFold monomer V2.0 prediction for hirudin-3B' (P28511) | predicted | A | — | — |
Ligands
- TYS · O-sulfo-L-tyrosine · in 2 records
Experiment against prediction
- 1ZGI chain B against the predicted model P28511: TM-score 0.62, RMSD 0.59 Å
- 1ZGI chain B against the predicted model P28511: TM-score 0.62, RMSD 0.59 Å
- 5AFZ chain I against the predicted model P28511: TM-score 0.62, RMSD 0.67 Å
- 1ZGV chain B against the predicted model P28511: TM-score 0.57, RMSD 0.66 Å
- 1ZGV chain B against the predicted model P28511: TM-score 0.57, RMSD 0.66 Å
- 1Z71 chain B against the predicted model P28511: TM-score 0.56, RMSD 0.88 Å
- 1Z71 chain B against the predicted model P28511: TM-score 0.56, RMSD 0.88 Å
- 5AHG chain I against the predicted model P28511: TM-score 0.52, RMSD 0.96 Å
- 5AHG chain I against the predicted model P28511: TM-score 0.52, RMSD 0.96 Å
- 1D6W chain I against the predicted model P28511: TM-score 0.52, RMSD 0.66 Å
Elsewhere
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