UniProt P22259
Phosphoenolpyruvate carboxykinase (ATP) (P22259)
Phosphoenolpyruvate carboxykinase (ATP) (UniProt P22259), EC 4.1.1.49: 34 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 114 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P22259
- Protein
- Phosphoenolpyruvate carboxykinase (ATP)
- EC
- 4.1.1.49
- Experimental structures
- 34
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 114 · 35 records with a druggable one
Structures
35 records of P22259 in the MolNFT archive: 34 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1AQ2 | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | MN, MG, ATP, PYR | 3 (best 0.71) |
| 1AQ2 | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | MN, MG, ATP, PYR | 3 (best 0.71) |
| 1AYL | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | OXL, MG, ATP | 3 (best 0.74) |
| 1AYL | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | OXL, MG, ATP | 3 (best 0.74) |
| 1K3C | Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate | x-ray diffraction | A | MG, ADP, AF3, PYR | 3 (best 0.71) |
| 1K3C | Phosphoenolpyruvate carboxykinase in complex with ADP, ALF3 and pyruvate | x-ray diffraction | A | MG, ADP, AF3, PYR | 3 (best 0.71) |
| 1K3D | Phosphoenolpyruvate carboxykinase in complex with ADP and AlF3 | x-ray diffraction | A | MG, ADP, AF3 | 2 (best 0.71) |
| 1K3D | Phosphoenolpyruvate carboxykinase in complex with ADP and ALF3 | x-ray diffraction | A | MG, ADP, AF3 | 2 (best 0.71) |
| 1OEN | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | — | 4 (best 0.69) |
| 1OEN | Phosphoenolpyruvate carboxykinase | x-ray diffraction | A | — | 4 (best 0.69) |
| 1OS1 | Structure of Phosphoenolpyruvate Carboxykinase complexed with ATP,Mg, Ca and pyruvate. | x-ray diffraction | A | MG, CA, ATP, PYR | 2 (best 0.75) |
| 1OS1 | Structure of phosphoenolpyruvate carboxykinase complexed with ATP,MG, ca and pyruvate. | x-ray diffraction | A | MG, CA, ATP, PYR | 2 (best 0.75) |
| 2OLQ | How Does an Enzyme Recognize CO2? | x-ray diffraction | A | MN, MG, ATP, CO2 | 3 (best 0.73) |
| 2OLQ | How does an enzyme recognize CO2? | x-ray diffraction | A | MN, MG, ATP, CO2 | 3 (best 0.73) |
| 2OLR | Crystal structure of Escherichia coli phosphoenolpyruvate carboxykinase complexed with carbon… | x-ray diffraction | A | MG, CL, CO2, ATP | 3 (best 0.71) |
| 2OLR | Crystal structure of escherichia COLI phosphoenolpyruvate carboxykinase complexed with carbon… | x-ray diffraction | A | MG, CL, CO2, ATP | 3 (best 0.71) |
| 2PXZ | E. coli phosphoenolpyruvate carboxykinase (PEPCK) complexed with ATP, Mg2+, Mn2+, carbon dioxide… | x-ray diffraction | X | MG, MN, OAA, ATP, CO2 | 3 (best 0.69) |
| 2PXZ | E. COLI phosphoenolpyruvate carboxykinase (pepck) complexed with ATP, MG2+, MN2+, carbon dioxide… | x-ray diffraction | X | MG, MN, OAA, ATP, CO2 | 3 (best 0.69) |
| 2PY7 | Crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Lys213Ser complexed with… | x-ray diffraction | X | MG, MN, ATP | 2 (best 0.74) |
| 2PY7 | Crystal structure of E. COLI phosphoenolpyruvate carboxykinase mutant LYS213SER complexed with… | x-ray diffraction | X | MG, MN, ATP | 2 (best 0.74) |
| 6ASI | E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate | x-ray diffraction | A | ATP, MG, MN, 03S | 3 (best 0.67) |
| 6ASI | E. COLI phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate | x-ray diffraction | A | ATP, MG, MN, 03S | 3 (best 0.67) |
| 6ASM | E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate | x-ray diffraction | A | ATP, MG, MN, XE, THJ | 2 (best 0.70) |
| 6ASM | E. COLI phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate | x-ray diffraction | A | ATP, MG, MN, XE, THJ | 2 (best 0.70) |
| 6ASN | E. coli phosphoenolpyruvate carboxykinase K212I F216V mutant bound to methanesulfonate | x-ray diffraction | A | SO4, 03S | 2 (best 0.67) |
| 6ASN | E. COLI phosphoenolpyruvate carboxykinase K212I F216V mutant bound to methanesulfonate | x-ray diffraction | A | SO4, 03S | 2 (best 0.67) |
| 6AT2 | E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | x-ray diffraction | A | ATP, MN, MG, THJ | 2 (best 0.69) |
| 6AT2 | E. COLI phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | x-ray diffraction | A | ATP, MN, MG, THJ | 2 (best 0.69) |
| 6AT3 | E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate | x-ray diffraction | A, B | OAA, THJ | 8 (best 0.73) |
| 6AT3 | E. COLI phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate | x-ray diffraction | A, B | OAA, THJ | 8 (best 0.73) |
| 6AT4 | E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate | x-ray diffraction | A, B | THJ | 7 (best 0.77) |
| 6AT4 | E. COLI phosphoenolpyruvate carboxykinase bound to thiosulfate | x-ray diffraction | A, B | THJ | 7 (best 0.77) |
| 6COM | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | x-ray diffraction | A | ATP, PYR, CA, MG | 3 (best 0.73) |
| 6COM | 2.3A crystal structure of E. COLI phosphoenolpyruvate carboxykinase mutant ASP269ASN | x-ray diffraction | A | ATP, PYR, CA, MG | 3 (best 0.73) |
| P22259 | AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase (ATP) (P22259) | predicted | A | — | 4 (best 0.73) |
Ligands
- MG · Magnesium ion · in 26 records
- ATP · Adenosine-5'-triphosphate · in 22 records
- MN · Manganese (II) ion · in 14 records
- PYR · Pyruvic acid · in 8 records
- THJ · Thiosulfate · in 8 records
- CO2 · Carbon dioxide · in 6 records
- 03S · methanesulfonic acid · in 4 records
- ADP · Adenosine-5'-diphosphate · in 4 records
- AF3 · Aluminum fluoride · in 4 records
- CA · Calcium ion · in 4 records
- OAA · Oxaloacetate ion · in 4 records
- CL · Chloride ion · in 2 records
- OXL · Oxalate ion · in 2 records
- SO4 · Sulfate ion · in 2 records
- XE · Xenon · in 2 records
Experiment against prediction
- 1OEN chain A against the predicted model P22259: TM-score 0.98, RMSD 1.17 Å
- 1OEN chain A against the predicted model P22259: TM-score 0.98, RMSD 1.17 Å
- 6ASN chain A against the predicted model P22259: TM-score 0.98, RMSD 1.09 Å
- 6ASN chain A against the predicted model P22259: TM-score 0.98, RMSD 1.09 Å
- 6AT3 chain B against the predicted model P22259: TM-score 0.96, RMSD 1.82 Å
- 6AT3 chain B against the predicted model P22259: TM-score 0.96, RMSD 1.82 Å
- 1AYL chain A against the predicted model P22259: TM-score 0.96, RMSD 1.78 Å
- 1AYL chain A against the predicted model P22259: TM-score 0.96, RMSD 1.78 Å
- 1AQ2 chain A against the predicted model P22259: TM-score 0.96, RMSD 1.89 Å
- 1AQ2 chain A against the predicted model P22259: TM-score 0.96, RMSD 1.89 Å
Elsewhere
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