UniProt B2I1J3
D-alanine--D-alanine ligase (B2I1J3)
D-alanine--D-alanine ligase (UniProt B2I1J3), EC 6.3.2.4: 4 experimental structures and 1 predicted model on GenesisL1, 15 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- B2I1J3
- Protein
- D-alanine--D-alanine ligase
- EC
- 6.3.2.4
- Experimental structures
- 4
- Predicted models
- 1
- Pockets
- 15 · 1 record with a druggable one
Structures
5 records of B2I1J3 in the MolNFT archive: 4 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5D8D | Crystal structure of D-alanine-D-alanine ligase from Acinetobacter baumannii | x-ray diffraction | A, B, C, D, E, F | — | 15 (best 0.73) |
| 5D8D | Crystal structure of D-alanine-D-alanine ligase from acinetobacter baumannii | x-ray diffraction | A, B, C, D, E, F | — | — |
| 5DMX | Crystal structure of D-alanine-D-alanine ligase from Acinetobacter baumannii, space group p212121 | x-ray diffraction | A, B, C, D, E, F | — | — |
| 5DMX | Crystal structure of D-alanine-D-alanine ligase from acinetobacter baumannii, space group P212121 | x-ray diffraction | A, B, C, D, E, F | — | — |
| B2I1J3 | AlphaFold monomer V2.0 prediction for D-alanine--D-alanine ligase (B2I1J3) | predicted | A | — | — |
Experiment against prediction
- 5D8D chain D against the predicted model B2I1J3: TM-score 0.99, RMSD 0.69 Å
- 5D8D chain D against the predicted model B2I1J3: TM-score 0.99, RMSD 0.69 Å
- 5DMX chain D against the predicted model B2I1J3: TM-score 0.99, RMSD 0.72 Å
- 5DMX chain D against the predicted model B2I1J3: TM-score 0.99, RMSD 0.72 Å
- 5DMX chain E against the predicted model B2I1J3: TM-score 0.99, RMSD 0.66 Å
- 5DMX chain E against the predicted model B2I1J3: TM-score 0.99, RMSD 0.66 Å
- 5D8D chain C against the predicted model B2I1J3: TM-score 0.98, RMSD 0.84 Å
- 5D8D chain C against the predicted model B2I1J3: TM-score 0.98, RMSD 0.84 Å
- 5DMX chain C against the predicted model B2I1J3: TM-score 0.98, RMSD 1.00 Å
- 5DMX chain C against the predicted model B2I1J3: TM-score 0.98, RMSD 1.00 Å
Elsewhere
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