6CHN
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Phosphopantetheine adenylyltransferase | polymer | 161 | 18073.8 | 2 | UniProt (P0A6I6) Pfam (PF01467) In PDB | Escherichia coli (strain K12) | Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT |
| 2 | A, B | 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 | non-polymer | 451.5 | 2 | Chemie (F1D) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | A, B | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 6 | water | water | 18.0 | 268 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 159 (UniProt: P0A6I6)
| PDB | External Database | Details |
|---|---|---|
| Val 160 | - | expression tag |
| Asp 161 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36147.7 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1877.8 | |
| All* | Total formula weight | 38025.5 |
