UniProt B1MDL6
Phosphopantetheine adenylyltransferase (B1MDL6)
Phosphopantetheine adenylyltransferase (UniProt B1MDL6), EC 2.7.7.3: 44 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 65 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- B1MDL6
- Protein
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- Experimental structures
- 44
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 65 · 19 records with a druggable one
Structures
45 records of B1MDL6 in the MolNFT archive: 44 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5O06 | Crystal structure of APO form of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus | x-ray diffraction | A, B, C | — | 3 (best 0.69) |
| 5O06 | Crystal structure of apo form of phosphopantetheine adenylyltransferase from mycobacterium abcessus | x-ray diffraction | A, B, C | — | — |
| 5O08 | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | COD | — |
| 5O08 | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | COD | — |
| 5O0A | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FH | 5 (best 0.69) |
| 5O0A | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FH | — |
| 5O0B | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FE | — |
| 5O0B | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FE | — |
| 5O0C | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9F8 | 3 (best 0.70) |
| 5O0C | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9F8 | — |
| 5O0D | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9F5 | — |
| 5O0D | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9F5 | — |
| 5O0F | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | IOP | 3 (best 0.70) |
| 5O0F | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | IOP | — |
| 5O0H | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FN | 4 (best 0.69) |
| 5O0H | Crystal structure of phosphopantetheine adenylyltransferase from mycobacterium abcessus in complex… | x-ray diffraction | A, B, C | 9FN | — |
| 7YWM | Crystal structure of Mycobacterium abcessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | ATP, MG | 3 (best 0.70) |
| 7YWM | Crystal structure of mycobacterium abcessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | ATP, MG | — |
| 7YXZ | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | COA | — |
| 7YY0 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | PNS | 3 (best 0.69) |
| 7YY0 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | PNS | — |
| 7YY1 | Mycobacterium abscessus Phosphopantetheine adenylyltransferase ternary complex with… | x-ray diffraction | A, B, C | PNS, APC | 3 (best 0.69) |
| 7YY1 | Mycobacterium abscessus phosphopantetheine adenylyltransferase ternary complex with… | x-ray diffraction | A, B, C | PNS, APC | — |
| 7YY2 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | EP8 | 6 (best 0.69) |
| 7YY2 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | EP8 | — |
| 7YY3 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | FIC, MG | — |
| 7YY4 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7W | 3 (best 0.69) |
| 7YY4 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7W | — |
| 7YY5 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7L | — |
| 7YY6 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7S | 3 (best 0.69) |
| 7YY6 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7S | — |
| 7YY7 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | SO4, BZJ | 3 (best 0.70) |
| 7YY7 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | SO4, BZJ | — |
| 7YY8 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | 3IL, 4Z9 | 3 (best 0.71) |
| 7YY8 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | 3IL, 4Z9 | 3 (best 0.71) |
| 7YY9 | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7Z | 5 (best 0.68) |
| 7YY9 | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | — | — | — | |
| 7YYA | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | EQ5 | 3 (best 0.69) |
| 7YYA | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | EQ5 | — |
| 7YYB | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | QX4 | — |
| 7YYC | Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7O | 3 (best 0.70) |
| 7YYC | Crystal structure of mycobacterium abscessus phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | I7O | — |
| 8QIX | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | VJ7 | 3 (best 0.71) |
| 8QJ8 | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with… | x-ray diffraction | A, B, C | VIW | 3 (best 0.69) |
| B1MDL6 | AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (B1MDL6) | predicted | A | — | — |
Ligands
- PNS · 4'-phosphopantetheine · in 4 records
- MG · Magnesium ion · in 3 records
- 3IL · 3-(indol-3-yl) lactate · in 2 records
- 4Z9 · (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid · in 2 records
- 9F5 · (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid · in 2 records
- 9F8 · 3-(3-methylindol-1-yl)propanoic acid · in 2 records
- 9FE · 3-bromanyl-1~{H}-indazole-5-carboxylic acid · in 2 records
- 9FH · 5-methyl-1-phenyl-pyrazole-4-carboxylic acid · in 2 records
- 9FN · 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid · in 2 records
- APC · Diphosphomethylphosphonic acid adenosyl ester · in 2 records
- ATP · Adenosine-5'-triphosphate · in 2 records
- BZJ · 3-hydroxynaphthalene-2-carboxylic acid · in 2 records
- COD · Dephospho coenzyme A · in 2 records
- EP8 · 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid · in 2 records
- EQ5 · 3-indol-1-ylpropanoic acid · in 2 records
- I7O · 2-indol-1-ylethanoic acid · in 2 records
- I7S · 6-methylpyridine-2,3-dicarboxylic acid · in 2 records
- I7W · 6-fluoranylnaphthalene-2-carboxylic acid · in 2 records
- IOP · Indolylpropionic acid · in 2 records
- SO4 · Sulfate ion · in 2 records
- COA · Coenzyme A · in 1 record
- FIC · 5-fluoroindole-2-carboxylic acid · in 1 record
- I7L · 2-naphthalen-2-ylethanoic acid · in 1 record
- I7Z · 2-azanyl-4-chloranyl-benzenecarbonitrile · in 1 record
- QX4 · 4-hydroxy-6-methyl-2H-1-benzopyran-2-one · in 1 record
- VIW · 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid · in 1 record
- VJ7 · 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide · in 1 record
Experiment against prediction
- 7YYC chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.33 Å
- 7YYC chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.33 Å
- 5O0C chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.34 Å
- 5O0C chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.34 Å
- 7YY6 chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.36 Å
- 7YY6 chain C against the predicted model B1MDL6: TM-score 0.99, RMSD 0.36 Å
- 7YYC chain B against the predicted model B1MDL6: TM-score 0.99, RMSD 0.37 Å
- 7YYC chain B against the predicted model B1MDL6: TM-score 0.99, RMSD 0.37 Å
- 7YY6 chain B against the predicted model B1MDL6: TM-score 0.99, RMSD 0.37 Å
- 7YY6 chain B against the predicted model B1MDL6: TM-score 0.99, RMSD 0.37 Å
Elsewhere
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