UniProt Q8NJN3
Acetyl-coenzyme A synthetase 2 (Q8NJN3)
Acetyl-coenzyme A synthetase 2 (UniProt Q8NJN3), EC 6.2.1.1: 10 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 119 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q8NJN3
- Protein
- Acetyl-coenzyme A synthetase 2
- EC
- 6.2.1.1
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 119 · 9 records with a druggable one
Structures
11 records of Q8NJN3 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7KDS | Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from… | x-ray diffraction | A | PRX, NA | 4 (best 0.79) |
| 7KDS | Crystal structure of acetyl-CoA synthetase 2 in complex with adenosine-5'-propylphosphate from… | x-ray diffraction | A | PRX, NA | — |
| 8V4O | Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP from Candida albicans | x-ray diffraction | A, B, C | SO4, CL, AMP | 14 (best 0.86) |
| 8W0B | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl… | x-ray diffraction | A, B, C | YHK, NA, SO4 | 13 (best 0.86) |
| 8W0C | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl… | x-ray diffraction | A, B, C | YHF, NA, SO4, CL | 14 (best 0.86) |
| 8W0D | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP… | x-ray diffraction | A, B, C | YHQ, NA, SO4, CL | 14 (best 0.86) |
| 8W0H | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP… | x-ray diffraction | A, B, C | CL, YHQ, SO4 | 15 (best 0.85) |
| 8W0J | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP… | x-ray diffraction | A, B, C | YHT, SO4, CL | 14 (best 0.86) |
| 8W0L | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP… | x-ray diffraction | A, B, C | YHT, COA, SO4, CL | 13 (best 0.86) |
| 8W0M | Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl… | x-ray diffraction | A, B, C | 7RM | 18 (best 0.87) |
| Q8NJN3 | AlphaFold monomer V2.0 prediction for acetyl-coenzyme a synthetase 2 (Q8NJN3) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 7 records
- CL · Chloride ion · in 6 records
- NA · Sodium ion · in 5 records
- PRX · Adenosine-5'-monophosphate-propyl ester · in 2 records
- YHQ · 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine · in 2 records
- YHT · 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine · in 2 records
- 7RM · 5'-O-(acetylsulfamoyl)adenosine · in 1 record
- AMP · Adenosine monophosphate · in 1 record
- COA · Coenzyme A · in 1 record
- YHF · 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine · in 1 record
- YHK · 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine · in 1 record
Experiment against prediction
- 8W0M chain B against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.34 Å
- 8W0J chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.35 Å
- 8W0B chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.35 Å
- 8W0L chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.38 Å
- 8W0D chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.36 Å
- 8V4O chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.37 Å
- 8W0C chain C against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.38 Å
- 7KDS chain A against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.45 Å
- 7KDS chain A against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.45 Å
- 8W0M chain A against the predicted model Q8NJN3: TM-score 1.00, RMSD 0.45 Å
Elsewhere
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