UniProt P20004
Aconitase (P20004)
Aconitase (UniProt P20004), EC 4.2.1.3: 18 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 9 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P20004
- Protein
- Aconitase
- EC
- 4.2.1.3
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 9 · 1 record with a druggable one
Structures
19 records of P20004 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ACO | Crystal structure of aconitase with transaconitate bound | x-ray diffraction | A | — | — |
| 1ACO | Crystal structure of aconitase with transaconitate bound | x-ray diffraction | A | — | — |
| 1AMI | Steric and conformational features of the aconitase mechanism | x-ray diffraction | A | — | — |
| 1AMI | Steric and conformational features of the aconitase mechanism | x-ray diffraction | A | — | — |
| 1AMJ | Steric and conformational features of the aconitase mechanism | x-ray diffraction | A | — | — |
| 1AMJ | Steric and conformational features of the aconitase mechanism | x-ray diffraction | A | — | — |
| 1C96 | S642A:CITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1C96 | S642A:CITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1C97 | S642A:ISOCITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1C97 | S642A:ISOCITRATE complex of aconitase | x-ray diffraction | A | — | — |
| 1FGH | Complex with 4-hydroxy-trans-aconitate | x-ray diffraction | A | — | — |
| 1FGH | Complex with 4-hydroxy-trans-aconitate | x-ray diffraction | A | — | — |
| 1NIS | Crystal structure of aconitase with trans-aconitate and nitrocitrate bound | x-ray diffraction | A | — | — |
| 1NIS | Crystal structure of aconitase with trans-aconitate and nitrocitrate bound | x-ray diffraction | A | — | — |
| 1NIT | Crystal structure of aconitase with trans-aconitate and nitrocitrate bound | x-ray diffraction | A | — | — |
| 1NIT | Crystal structure of aconitase with trans-aconitate and nitrocitrate bound | x-ray diffraction | A | — | — |
| 8ACN | Crystal structures of aconitase with isocitrate and nitroisocitrate bound | x-ray diffraction | A | SF4, NIC | 9 (best 0.74) |
| 8ACN | Crystal structures of aconitase with isocitrate and nitroisocitrate bound | x-ray diffraction | A | SF4, NIC | — |
| P20004 | AlphaFold monomer V2.0 prediction for aconitate hydratase, mitochondrial (P20004) | predicted | A | — | — |
Ligands
Experiment against prediction
- 1NIT chain A against the predicted model P20004: TM-score 1.00, RMSD 0.35 Å
- 1NIT chain A against the predicted model P20004: TM-score 1.00, RMSD 0.35 Å
- 1NIS chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1NIS chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1AMI chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1AMI chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1ACO chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1ACO chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1C96 chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
- 1C96 chain A against the predicted model P20004: TM-score 1.00, RMSD 0.36 Å
Elsewhere
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