UniProt P0AB91
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (P0AB91)
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (UniProt P0AB91), EC 2.5.1.54: 16 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 65 pockets. Binding sites, druggability and experiment…
- UniProt
- P0AB91
- Protein
- Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
- EC
- 2.5.1.54
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 65 · 6 records with a druggable one
Structures
17 records of P0AB91 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GG1 | Crystal structure analysis of dahp synthase in complex with MN2+ and 2-phosphoglycolate | x-ray diffraction | A, B, C, D | — | — |
| 1GG1 | Crystal structure analysis of dahp synthase in complex with MN2+ and 2-phosphoglycolate | x-ray diffraction | A, B, C, D | — | — |
| 1N8F | Crystal structure of E24Q mutant of phenylalanine-regulated… | x-ray diffraction | A, B, C, D | — | — |
| 1N8F | Crystal structure of E24Q mutant of phenylalanine-regulated 3-deoxy-D… | x-ray diffraction | A, B, C, D | — | — |
| 1QR7 | Crystal structure of phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase… | x-ray diffraction | A, B, C, D | — | — |
| 1QR7 | Crystal structure of phenylalanine-regulated 3-deoxy-D- arabino-heptulosonate-7-phosphate synthase… | x-ray diffraction | A, B, C, D | — | — |
| 5CKS | Dahp (3-deoxy-D-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. | x-ray diffraction | A, B, C, D | — | — |
| 7RUD | Dahp synthase complex with trifluoropyruvate oxime | x-ray diffraction | A, B, C, D | 7QE | — |
| 7RUE | DAHP synthase complexed with trifluoropyruvate semicarbazone | x-ray diffraction | A, B, C, D | 7QH, MN | 11 (best 0.83) |
| 7RUE | Dahp synthase complexed with trifluoropyruvate semicarbazone | x-ray diffraction | A, B, C, D | 7QH, MN | — |
| 8E0T | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in… | x-ray diffraction | A, B, C, D | 52L | 11 (best 0.84) |
| 8E0U | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Sulfate in… | x-ray diffraction | A, B, C, D | SO4 | 11 (best 0.84) |
| 8E0V | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in… | x-ray diffraction | A, B, C, D | MN, GAL, PEP, PO4 | 11 (best 0.84) |
| 8E0X | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in… | x-ray diffraction | A, B, C, D | MN, PEP, PO4 | — |
| 8E0Y | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), and… | x-ray diffraction | A, B, C, D | PR, PO4, 52L | 12 (best 0.82) |
| 8E0Z | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations | x-ray diffraction | A, B, C, D | CL | 9 (best 0.83) |
| P0AB91 | AlphaFold monomer V2.0 prediction for phospho-2-dehydro-3-deoxyheptonate aldolase, phe-sensitive… | predicted | A | — | — |
Ligands
- MN · Manganese (II) ion · in 4 records
- PO4 · Phosphate ion · in 3 records
- 52L · DAHP Oxime · in 2 records
- 7QH · (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid · in 2 records
- PEP · Phosphoenolpyruvate · in 2 records
- 7QE · (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid · in 1 record
- CL · Chloride ion · in 1 record
- GAL · beta-D-galactopyranose · in 1 record
- PR · Praseodymium ion · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 8E0Y chain D against the predicted model P0AB91: TM-score 0.99, RMSD 0.54 Å
- 8E0T chain D against the predicted model P0AB91: TM-score 0.99, RMSD 0.55 Å
- 8E0V chain D against the predicted model P0AB91: TM-score 0.99, RMSD 0.57 Å
- 8E0X chain D against the predicted model P0AB91: TM-score 0.99, RMSD 0.58 Å
- 8E0T chain A against the predicted model P0AB91: TM-score 0.99, RMSD 0.58 Å
- 8E0U chain D against the predicted model P0AB91: TM-score 0.99, RMSD 0.59 Å
- 1GG1 chain A against the predicted model P0AB91: TM-score 0.99, RMSD 0.59 Å
- 1GG1 chain A against the predicted model P0AB91: TM-score 0.99, RMSD 0.59 Å
- 8E0U chain B against the predicted model P0AB91: TM-score 0.99, RMSD 0.60 Å
- 5CKS chain B against the predicted model P0AB91: TM-score 0.99, RMSD 0.60 Å
Elsewhere
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