UniProt P0A6I6
Phosphopantetheine adenylyltransferase (P0A6I6)
Phosphopantetheine adenylyltransferase (UniProt P0A6I6), EC 2.7.7.3: 44 experimental structures and 1 predicted model on GenesisL1, 26 ligands bound, 40 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0A6I6
- Protein
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- Experimental structures
- 44
- Predicted models
- 1
- Ligands
- 26
- Pockets
- 40 · 20 records with a druggable one
Structures
45 records of P0A6I6 in the MolNFT archive: 44 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B6T | Phosphopantetheine adenylyltransferase in complex with 3'-dephospho-CoA from escherichia COLI | x-ray diffraction | A, B | SO4, COD | 2 (best 0.64) |
| 1B6T | Phosphopantetheine adenylyltransferase in complex with 3'- dephospho-CoA from escherichia COLI | x-ray diffraction | A, B | — | — |
| 5JBN | Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli | x-ray diffraction | A, B | SO4 | 2 (best 0.68) |
| 5JBN | Crystal structure of apo phosphopantetheine adenylyltransferase (PPAT/COAD) from E. COLI | x-ray diffraction | A, B | — | — |
| 6B7A | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | CWM, SO4, CL, POP | 2 (best 0.65) |
| 6B7A | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | CWM, SO4, CL, POP | — |
| 6B7B | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | CWJ, SO4, POP | 2 (best 0.68) |
| 6B7B | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | CWJ, SO4, POP | — |
| 6B7C | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | CWP, SO4, POP | 2 (best 0.65) |
| 6B7C | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | CWP, SO4, POP | — |
| 6B7D | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | CWG, SO4, K | 2 (best 0.65) |
| 6B7D | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | CWG, SO4, K | — |
| 6B7E | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | SO4, CWA | 2 (best 0.66) |
| 6B7E | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | SO4, CWA | — |
| 6B7F | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | SO4, POP, K, CW4 | 2 (best 0.65) |
| 6B7F | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | SO4, POP, CW4 | — |
| 6CCK | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXJ, ATP, MG, SO4 | 2 (best 0.62) |
| 6CCK | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXJ, ATP, SO4 | — |
| 6CCL | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXG, SO4 | 2 (best 0.63) |
| 6CCL | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXG, SO4 | — |
| 6CCM | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXP, SO4 | — |
| 6CCM | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXP, SO4 | — |
| 6CCN | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXS, SO4 | 2 (best 0.66) |
| 6CCN | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXS, SO4 | — |
| 6CCO | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXV, SO4 | 2 (best 0.66) |
| 6CCO | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXV, SO4 | — |
| 6CCQ | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EX7, SO4 | 2 (best 0.65) |
| 6CCQ | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EX7, SO4 | — |
| 6CCS | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with… | x-ray diffraction | A, B | EXD, SO4 | — |
| 6CCS | Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex with… | x-ray diffraction | A, B | EXD, SO4 | — |
| 6CHL | Phosphopantetheine adenylyltransferase (CoaD) in complex with… | x-ray diffraction | A, B | EXJ, SO4 | 2 (best 0.63) |
| 6CHL | Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3… | x-ray diffraction | A, B | EXJ, SO4 | — |
| 6CHM | Phosphopantetheine adenylyltransferase (CoaD) in complex with… | x-ray diffraction | A, B | F1V, SO4 | 2 (best 0.65) |
| 6CHM | Phosphopantetheine adenylyltransferase (coad) in complex with N-(2-(5… | x-ray diffraction | A, B | F1V, SO4 | — |
| 6CHN | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl… | x-ray diffraction | A, B | F1D, SO4 | 2 (best 0.65) |
| 6CHN | Phosphopantetheine adenylyltransferase (coad) in complex with methyl… | x-ray diffraction | A, B | F1D, SO4 | — |
| 6CHO | Phosphopantetheine adenylyltransferase (CoaD) in complex with… | x-ray diffraction | A, B | F14, SO4 | 2 (best 0.67) |
| 6CHO | Phosphopantetheine adenylyltransferase (coad) in complex with (R)-2… | x-ray diffraction | A, B | F14, SO4 | — |
| 6CHP | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl… | x-ray diffraction | A, B | F0Y, SO4 | 2 (best 0.65) |
| 6CHP | Phosphopantetheine adenylyltransferase (coad) in complex with methyl… | x-ray diffraction | A, B | F0Y, SO4 | — |
| 6CHQ | Phosphopantetheine adenylyltransferase (CoaD) in complex with… | x-ray diffraction | A, B | F0V, SO4 | 2 (best 0.66) |
| 6CHQ | Phosphopantetheine adenylyltransferase (coad) in complex with 2… | x-ray diffraction | A, B | F0V, SO4 | — |
| 6CKW | Phosphopantetheine adenylyltransferase (CoaD) in complex with… | x-ray diffraction | A, B | F6D, SO4 | 2 (best 0.64) |
| 6CKW | Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3… | x-ray diffraction | A, B | F6D, SO4 | — |
| P0A6I6 | AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (P0A6I6) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 42 records
- POP · Pyrophosphate 2- · in 8 records
- EXJ · (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) amino]propanenitrile · in 4 records
- K · Potassium ion · in 3 records
- ATP · Adenosine-5'-triphosphate · in 2 records
- CL · Chloride ion · in 2 records
- CW4 · (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one · in 2 records
- CWA · (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one · in 2 records
- CWG · 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine · in 2 records
- CWJ · 5-methoxy-2-methyl-1H-indole · in 2 records
- CWM · 2-methyl-1H-benzimidazol-7-ol · in 2 records
- CWP · N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine · in 2 records
- EX7 · 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol · in 2 records
- EXD · 2-(trifluoromethyl)-1H-benzimidazol-7-ol · in 2 records
- EXG · 1-benzyl-1H-imidazo[4,5-b]pyridine · in 2 records
- EXP · 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2, 4]triazolo[1,5-a]pyrimidin-7(6H)-one · in 2 records
- EXS · (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide · in 2 records
- EXV · 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl) cyclopentyl]benzoic acid · in 2 records
- F0V · 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium · in 2 records
- F0Y · methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate · in 2 records
- F14 · 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one · in 2 records
- F1D · Methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) amino]ethyl}phenoxy)piperidine-1-carboxylate · in 2 records
- F1V · N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide · in 2 records
- F6D · (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl) ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile · in 2 records
- COD · Dephospho coenzyme A · in 1 record
- MG · Magnesium ion · in 1 record
Experiment against prediction
- 6B7F chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.42 Å
- 6B7F chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.42 Å
- 6CCQ chain A against the predicted model P0A6I6: TM-score 0.99, RMSD 0.45 Å
- 6CCQ chain A against the predicted model P0A6I6: TM-score 0.99, RMSD 0.45 Å
- 6CCO chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.45 Å
- 6CCO chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.45 Å
- 6B7E chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.46 Å
- 6B7E chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.46 Å
- 6B7B chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.46 Å
- 6B7B chain B against the predicted model P0A6I6: TM-score 0.99, RMSD 0.46 Å
Elsewhere
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