UniProt P16276
Aconitase (P16276)
Aconitase (UniProt P16276), EC 4.2.1.3: 12 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P16276
- Protein
- Aconitase
- EC
- 4.2.1.3
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 19 · 2 records with a druggable one
Structures
13 records of P16276 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B0J | Crystal structure of aconitase with isocitrate | x-ray diffraction | A | — | — |
| 1B0J | Crystal structure of aconitase with isocitrate | x-ray diffraction | A | — | — |
| 1B0K | S642A:FLUOROCITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1B0K | S642A:FLUOROCITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1B0M | Aconitase R644Q:FLUOROCITRATE complex | x-ray diffraction | A | — | — |
| 1B0M | Aconitase R644Q:FLUOROCITRATE complex | x-ray diffraction | A | — | — |
| 5ACN | Structure of activated aconitase. formation of the (4FE-4S) cluster in the crystal | x-ray diffraction | A | — | — |
| 5ACN | Structure of activated aconitase. formation of the (4FE-4S) cluster in the crystal | x-ray diffraction | A | — | — |
| 6ACN | Structure of activated aconitase. formation of the (4FE-4S) cluster in the crystal | x-ray diffraction | A | SO4, SF4, TRC | 11 (best 0.75) |
| 6ACN | Structure of activated aconitase. formation of the (4FE-4S) cluster in the crystal | x-ray diffraction | A | SO4, SF4, TRC | — |
| 7ACN | Crystal structures of aconitase with isocitrate and nitroisocitrate bound | x-ray diffraction | A | SF4, ICT | 8 (best 0.75) |
| 7ACN | Crystal structures of aconitase with isocitrate and nitroisocitrate bound | x-ray diffraction | A | SF4, ICT | — |
| P16276 | AlphaFold monomer V2.0 prediction for aconitate hydratase, mitochondrial (P16276) | predicted | A | — | — |
Ligands
Experiment against prediction
- 7ACN chain A against the predicted model P16276: TM-score 1.00, RMSD 0.42 Å
- 7ACN chain A against the predicted model P16276: TM-score 1.00, RMSD 0.42 Å
- 1B0M chain A against the predicted model P16276: TM-score 1.00, RMSD 0.43 Å
- 1B0M chain A against the predicted model P16276: TM-score 1.00, RMSD 0.43 Å
- 1B0J chain A against the predicted model P16276: TM-score 1.00, RMSD 0.51 Å
- 1B0J chain A against the predicted model P16276: TM-score 1.00, RMSD 0.51 Å
- 1B0K chain A against the predicted model P16276: TM-score 1.00, RMSD 0.55 Å
- 1B0K chain A against the predicted model P16276: TM-score 1.00, RMSD 0.55 Å
- 6ACN chain A against the predicted model P16276: TM-score 1.00, RMSD 0.58 Å
- 6ACN chain A against the predicted model P16276: TM-score 1.00, RMSD 0.58 Å
Elsewhere
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