UniProt A0QWT2
Coenzyme A biosynthesis bifunctional protein CoaBC (A0QWT2)
Coenzyme A biosynthesis bifunctional protein CoaBC (UniProt A0QWT2), EC 4.1.1.36, 6.3.2.5: 13 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 97 pockets. Binding sites, druggability and experiment…
- UniProt
- A0QWT2
- Protein
- Coenzyme A biosynthesis bifunctional protein CoaBC
- EC
- 4.1.1.36, 6.3.2.5
- Experimental structures
- 13
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 97 · 8 records with a druggable one
Structures
14 records of A0QWT2 in the MolNFT archive: 13 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4QJI | Crystal Structure of the C-terminal CTP-binding domain of a Phosphopantothenoylcysteine… | x-ray diffraction | A, B | — | — |
| 4QJI | Crystal structure of the C-terminal CTP-binding domain of a phosphopantothenoylcysteine… | x-ray diffraction | A, B | — | — |
| 6TGV | Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN | x-ray diffraction | A, B, C, D | CTP, MG, FMN | 20 (best 0.74) |
| 6TGV | Crystal structure of mycobacterium smegmatis coabc in complex with CTP and FMN | x-ray diffraction | A, B, C, D | CTP, MG, FMN | — |
| 6TH2 | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP | x-ray diffraction | A, B, C, D | CTP, CA | 13 (best 0.75) |
| 6TH2 | Crystal structure of mycobacterium smegmatis coab in complex with CTP | x-ray diffraction | A, B, C, D | CTP, CA | — |
| 6THC | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, N9N | 7 (best 0.80) |
| 6THC | Crystal structure of mycobacterium smegmatis coab in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, N9N | — |
| 8OW5 | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, VEO | 10 (best 0.78) |
| 8OWB | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, VE6 | 11 (best 0.77) |
| 8OWP | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, W52 | 14 (best 0.76) |
| 8OWQ | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, W4X | 11 (best 0.77) |
| 8OWR | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and… | x-ray diffraction | A, B, C, D | CTP, CA, W5E | 11 (best 0.74) |
| A0QWT2 | AlphaFold monomer V2.0 prediction for coenzyme a biosynthesis bifunctional protein coabc (A0QWT2) | predicted | A | — | — |
Ligands
- CTP · Cytidine-5'-triphosphate · in 11 records
- CA · Calcium ion · in 9 records
- FMN · Flavin mononucleotide · in 2 records
- MG · Magnesium ion · in 2 records
- N9N · (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone · in 2 records
- VE6 · 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid · in 1 record
- VEO · 5-methoxy-1H-indole-2-carboxylic acid · in 1 record
- W4X · 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid · in 1 record
- W52 · 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid · in 1 record
- W5E · 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid · in 1 record
Experiment against prediction
- 6TH2 chain C against the predicted model A0QWT2: TM-score 0.98, RMSD 0.69 Å
- 6TH2 chain C against the predicted model A0QWT2: TM-score 0.98, RMSD 0.69 Å
- 8OWB chain C against the predicted model A0QWT2: TM-score 0.98, RMSD 0.71 Å
- 6TGV chain B against the predicted model A0QWT2: TM-score 0.98, RMSD 0.93 Å
- 6TGV chain B against the predicted model A0QWT2: TM-score 0.98, RMSD 0.93 Å
- 8OWR chain C against the predicted model A0QWT2: TM-score 0.98, RMSD 0.74 Å
- 4QJI chain A against the predicted model A0QWT2: TM-score 0.98, RMSD 0.82 Å
- 4QJI chain A against the predicted model A0QWT2: TM-score 0.98, RMSD 0.82 Å
- 8OWQ chain A against the predicted model A0QWT2: TM-score 0.98, RMSD 0.77 Å
- 6THC chain A against the predicted model A0QWT2: TM-score 0.98, RMSD 0.79 Å
Elsewhere
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