UniProt P9WNS3
1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase (P9WNS3)
1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase (UniProt P9WNS3), EC 2.2.1.7: 3 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 34 pockets. Binding sites, druggability…
- UniProt
- P9WNS3
- Protein
- 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase
- EC
- 2.2.1.7
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 34 · 4 records with a druggable one
Structures
4 records of P9WNS3 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7A9G | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with… | x-ray diffraction | AAA, BBB | HTL, MG, PO4 | 9 (best 0.71) |
| 7A9H | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis | x-ray diffraction | AAA, BBB | MG, TPP | 11 (best 0.71) |
| 8OGH | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with… | x-ray diffraction | A, B | VMI, MG | 9 (best 0.66) |
| P9WNS3 | AlphaFold monomer V2.0 prediction for 1-deoxy-D-xylulose-5-phosphate synthase (P9WNS3) | predicted | A | — | 5 (best 0.77) |
Ligands
- MG · Magnesium ion · in 3 records
- HTL · 2-acetyl-thiamine diphosphate · in 1 record
- PO4 · Phosphate ion · in 1 record
- TPP · Thiamine diphosphate · in 1 record
- VMI · [(S)-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid · in 1 record
Experiment against prediction
- 7A9G chain BBB against the predicted model P9WNS3: TM-score 0.99, RMSD 0.83 Å
- 7A9G chain AAA against the predicted model P9WNS3: TM-score 0.99, RMSD 0.76 Å
- 7A9H chain AAA against the predicted model P9WNS3: TM-score 0.98, RMSD 1.18 Å
- 8OGH chain A against the predicted model P9WNS3: TM-score 0.98, RMSD 0.90 Å
- 7A9H chain BBB against the predicted model P9WNS3: TM-score 0.98, RMSD 1.12 Å
- 8OGH chain B against the predicted model P9WNS3: TM-score 0.98, RMSD 0.96 Å
Elsewhere
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