UniProt Q88E47
Homogentisate 1,2-dioxygenase (Q88E47)
Homogentisate 1,2-dioxygenase (UniProt Q88E47), EC 1.13.11.5: 6 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 120 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q88E47
- Protein
- Homogentisate 1,2-dioxygenase
- EC
- 1.13.11.5
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 120 · 6 records with a druggable one
Structures
7 records of Q88E47 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3ZDS | Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE, M8O, OMD, OXY, HQ9, PO4 | 20 (best 0.85) |
| 3ZDS | Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE, M8O, OMD, OXY, HQ9, PO4 | 20 (best 0.85) |
| 4AQ2 | resting state of homogentisate 1,2-dioxygenase | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE | 20 (best 0.84) |
| 4AQ2 | Resting state of homogentisate 1,2-dioxygenase | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE | 20 (best 0.84) |
| 4AQ6 | substrate bound homogentisate 1,2-dioxygenase | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE, OMD | 20 (best 0.83) |
| 4AQ6 | Substrate bound homogentisate 1,2-dioxygenase | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | FE, OMD | 20 (best 0.83) |
| Q88E47 | AlphaFold monomer V2.0 prediction for homogentisate 1,2-dioxygenase (Q88E47) | predicted | A | — | — |
Ligands
- FE · Fe (III) ion · in 6 records
- OMD · 2-(3,6-dihydroxyphenyl)acetic acid · in 4 records
- HMQ · 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid · in 2 records
- HQ9 · 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid · in 2 records
- M8O · 4-Maleylacetoacetic acid · in 2 records
- OXY · Oxygen molecule · in 2 records
- PO4 · Phosphate ion · in 2 records
Experiment against prediction
- 3ZDS chain G against the predicted model Q88E47: TM-score 0.99, RMSD 0.60 Å
- 3ZDS chain G against the predicted model Q88E47: TM-score 0.99, RMSD 0.60 Å
- 4AQ6 chain E against the predicted model Q88E47: TM-score 0.99, RMSD 0.60 Å
- 4AQ6 chain E against the predicted model Q88E47: TM-score 0.99, RMSD 0.60 Å
- 4AQ6 chain A against the predicted model Q88E47: TM-score 0.99, RMSD 0.61 Å
- 4AQ6 chain A against the predicted model Q88E47: TM-score 0.99, RMSD 0.61 Å
- 3ZDS chain B against the predicted model Q88E47: TM-score 0.99, RMSD 0.61 Å
- 3ZDS chain B against the predicted model Q88E47: TM-score 0.99, RMSD 0.61 Å
- 4AQ2 chain A against the predicted model Q88E47: TM-score 0.99, RMSD 0.62 Å
- 4AQ2 chain A against the predicted model Q88E47: TM-score 0.99, RMSD 0.62 Å
Elsewhere
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