UniProt P22234
Multifunctional protein ADE2 (P22234)
Multifunctional protein ADE2 (UniProt P22234), EC 4.1.1.21, 6.3.2.6: 8 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 79 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P22234
- Protein
- Multifunctional protein ADE2
- EC
- 4.1.1.21, 6.3.2.6
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 79 · 9 records with a druggable one
Structures
9 records of P22234 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2H31 | Crystal structure of human PAICS, a bifunctional carboxylase and synthetase in purine biosynthesis | x-ray diffraction | A | CO2 | 3 (best 0.50) |
| 2H31 | Crystal structure of human paics, a bifunctional carboxylase and synthetase in purine biosynthesis | x-ray diffraction | A | CO2 | 3 (best 0.50) |
| 6YB8 | Human octameric PAICS in complex with CAIR and SAICAR | x-ray diffraction | A, B | C2R, OK8 | 11 (best 0.74) |
| 6YB8 | Human octameric paics in complex with cair and saicar | x-ray diffraction | A, B | C2R, OK8 | 11 (best 0.74) |
| 6YB9 | Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium | x-ray diffraction | A, B | ANP, OK8, MG | 10 (best 0.74) |
| 6YB9 | Human octameric paics in complex with saicar, AMP-pnp, and magnesium | x-ray diffraction | A, B | ANP, OK8, MG | 10 (best 0.74) |
| 7ALE | Crystal structure of human PAICS in complex with inhibitor 69 | x-ray diffraction | A, B | RLK, OK8 | 14 (best 0.75) |
| 7ALE | Crystal structure of human paics in complex with inhibitor 69 | x-ray diffraction | A, B | RLK, OK8 | 14 (best 0.75) |
| P22234 | AlphaFold monomer V2.0 prediction for multifunctional protein ADE2 (P22234) | predicted | A | — | 3 (best 0.76) |
Ligands
- OK8 · (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid · in 6 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- C2R · 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid · in 2 records
- CO2 · Carbon dioxide · in 2 records
- MG · Magnesium ion · in 2 records
- RLK · 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino) propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide · in 2 records
Experiment against prediction
- 6YB8 chain B against the predicted model P22234: TM-score 0.99, RMSD 0.70 Å
- 7ALE chain B against the predicted model P22234: TM-score 0.99, RMSD 0.71 Å
- 6YB9 chain B against the predicted model P22234: TM-score 0.99, RMSD 0.73 Å
- 7ALE chain A against the predicted model P22234: TM-score 0.99, RMSD 0.75 Å
- 7ALE chain A against the predicted model P22234: TM-score 0.99, RMSD 0.75 Å
- 6YB8 chain A against the predicted model P22234: TM-score 0.99, RMSD 0.78 Å
- 6YB8 chain A against the predicted model P22234: TM-score 0.99, RMSD 0.78 Å
- 6YB9 chain A against the predicted model P22234: TM-score 0.99, RMSD 0.77 Å
- 6YB9 chain A against the predicted model P22234: TM-score 0.99, RMSD 0.77 Å
- 2H31 chain A against the predicted model P22234: TM-score 0.97, RMSD 1.15 Å
Elsewhere
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