UniProt Q47746
D-alanyl-D-alanine carboxypeptidase (Q47746)
D-alanyl-D-alanine carboxypeptidase (UniProt Q47746), EC 3.4.16.4: 8 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 32 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q47746
- Protein
- D-alanyl-D-alanine carboxypeptidase
- EC
- 3.4.16.4
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 32 · 4 records with a druggable one
Structures
9 records of Q47746 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5HNM | Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type… | x-ray diffraction | A, B, C, D, E, F | ZN, SO4 | 19 (best 0.75) |
| 5HNM | Crystal structure of vancomycin resistance D,D-pentapeptidase vany E175A mutant from vanb-type… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 5ZHF | Structure of VanYB unbound | x-ray diffraction | A, B | ZN | 5 (best 0.75) |
| 5ZHF | Structure of vanyb unbound | x-ray diffraction | A, B | ZN | — |
| 5ZHW | VanYB in complex with D-Alanine-D-Alanine | x-ray diffraction | A, B | CU, DAL | 5 (best 0.75) |
| 5ZHW | Vanyb in complex with D-alanine-D-alanine | x-ray diffraction | A, B | CU | — |
| 6A6A | VanYB in complex with D-Alanine | x-ray diffraction | A, B | ZN | — |
| 6A6A | Vanyb in complex with D-alanine | x-ray diffraction | A, B | ZN | — |
| Q47746 | AlphaFold monomer V2.0 prediction for D-alanyl-D-alanine carboxypeptidase (Q47746) | predicted | A | — | 3 (best 0.52) |
Ligands
Experiment against prediction
- 5ZHW chain A against the predicted model Q47746: TM-score 1.00, RMSD 0.25 Å
- 5ZHF chain A against the predicted model Q47746: TM-score 1.00, RMSD 0.28 Å
- 5ZHF chain A against the predicted model Q47746: TM-score 1.00, RMSD 0.28 Å
- 5ZHW chain B against the predicted model Q47746: TM-score 0.99, RMSD 0.47 Å
- 5ZHF chain B against the predicted model Q47746: TM-score 0.99, RMSD 0.57 Å
- 5HNM chain C against the predicted model Q47746: TM-score 0.99, RMSD 0.47 Å
- 5HNM chain C against the predicted model Q47746: TM-score 0.99, RMSD 0.47 Å
- 6A6A chain B against the predicted model Q47746: TM-score 0.99, RMSD 0.41 Å
- 6A6A chain B against the predicted model Q47746: TM-score 0.99, RMSD 0.41 Å
- 5HNM chain A against the predicted model Q47746: TM-score 0.99, RMSD 0.57 Å
Elsewhere
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