UniProt Q50I20
2-methylcitrate synthase, mitochondrial (Q50I20)
2-methylcitrate synthase, mitochondrial (UniProt Q50I20), EC 2.3.3.16, 2.3.3.5: 10 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 106 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q50I20
- Protein
- 2-methylcitrate synthase, mitochondrial
- EC
- 2.3.3.16, 2.3.3.5
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 106 · 11 records with a druggable one
Structures
11 records of Q50I20 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5UQO | Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus | x-ray diffraction | B, A | — | 5 (best 0.74) |
| 5UQO | Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus | x-ray diffraction | B, A | — | 5 (best 0.74) |
| 5UQQ | Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus | x-ray diffraction | B, C, A, D, E, F | SRT | 20 (best 0.80) |
| 5UQQ | Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus | x-ray diffraction | B, C, A, D, E, F | SRT | 20 (best 0.80) |
| 5UQR | Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus | x-ray diffraction | A, B | OAA, NA, 8JD | 5 (best 0.77) |
| 5UQR | Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus | x-ray diffraction | A, B | OAA, NA, 8JD | 5 (best 0.77) |
| 5UQU | Crystal structure of mutant 2-methylcitrate synthase (mcsAG352A) from Aspergillus fumigatus | x-ray diffraction | A, B | SO4, OAA, COA | 6 (best 0.77) |
| 5UQU | Crystal structure of mutant 2-methylcitrate synthase (MCSAG352A) from aspergillus fumigatus | x-ray diffraction | A, B | SO4, OAA, COA | 6 (best 0.77) |
| 6BOP | Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus | x-ray diffraction | B, A, C, D | — | 16 (best 0.75) |
| 6BOP | Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus | x-ray diffraction | B, A, C, D | — | 16 (best 0.75) |
| Q50I20 | AlphaFold monomer V2.0 prediction for 2-methylcitrate synthase, mitochondrial (Q50I20) | predicted | A | — | 2 (best 0.65) |
Ligands
- OAA · Oxaloacetate ion · in 4 records
- 8JD · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) · in 2 records
- COA · Coenzyme A · in 2 records
- NA · Sodium ion · in 2 records
- SO4 · Sulfate ion · in 2 records
- SRT · S,R meso-tartaric acid · in 2 records
Experiment against prediction
- 5UQR chain A against the predicted model Q50I20: TM-score 1.00, RMSD 0.43 Å
- 5UQR chain A against the predicted model Q50I20: TM-score 1.00, RMSD 0.43 Å
- 5UQU chain A against the predicted model Q50I20: TM-score 1.00, RMSD 0.52 Å
- 5UQU chain A against the predicted model Q50I20: TM-score 1.00, RMSD 0.52 Å
- 6BOP chain D against the predicted model Q50I20: TM-score 0.99, RMSD 0.86 Å
- 6BOP chain D against the predicted model Q50I20: TM-score 0.99, RMSD 0.86 Å
- 5UQQ chain A against the predicted model Q50I20: TM-score 0.99, RMSD 0.81 Å
- 5UQQ chain A against the predicted model Q50I20: TM-score 0.99, RMSD 0.81 Å
- 5UQO chain B against the predicted model Q50I20: TM-score 0.99, RMSD 0.95 Å
- 5UQO chain B against the predicted model Q50I20: TM-score 0.99, RMSD 0.95 Å
Elsewhere
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