UniProt Q9HWI0
D-alanine--D-alanine ligase A (Q9HWI0)
D-alanine--D-alanine ligase A (UniProt Q9HWI0), EC 6.3.2.4: 3 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 24 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q9HWI0
- Protein
- D-alanine--D-alanine ligase A
- EC
- 6.3.2.4
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 24 · 3 records with a druggable one
Structures
4 records of Q9HWI0 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8EVV | Apo form of DdlA from Pseudomonas aeruginosa PAO1 | x-ray diffraction | A, B, C, D | — | 12 (best 0.77) |
| 8EVW | DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | x-ray diffraction | A, B | ATP, MG | 6 (best 0.81) |
| 8EVX | DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | x-ray diffraction | A, B | ADP, DS0, MG, K | 6 (best 0.79) |
| Q9HWI0 | AlphaFold monomer V2.0 prediction for D-alanine--D-alanine ligase a (Q9HWI0) | predicted | A | — | — |
Ligands
Experiment against prediction
- 8EVX chain B against the predicted model Q9HWI0: TM-score 0.98, RMSD 0.86 Å
- 8EVX chain A against the predicted model Q9HWI0: TM-score 0.98, RMSD 1.00 Å
- 8EVW chain B against the predicted model Q9HWI0: TM-score 0.97, RMSD 1.02 Å
- 8EVW chain A against the predicted model Q9HWI0: TM-score 0.97, RMSD 1.10 Å
- 8EVV chain B against the predicted model Q9HWI0: TM-score 0.96, RMSD 1.51 Å
- 8EVV chain C against the predicted model Q9HWI0: TM-score 0.96, RMSD 1.63 Å
- 8EVV chain D against the predicted model Q9HWI0: TM-score 0.94, RMSD 1.78 Å
- 8EVV chain A against the predicted model Q9HWI0: TM-score 0.93, RMSD 2.13 Å
Elsewhere
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