6CCK
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Phosphopantetheine adenylyltransferase | polymer | 161 | 18073.8 | 2 | UniProt (P0A6I6) Pfam (PF01467) | Escherichia coli (strain K12) | Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT |
| 2 | C, G (A, B) | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile | non-polymer | 328.8 | 2 | Chemie (EXJ) | |||
| 3 | D, H (A, B) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 2 | Chemie (ATP) | |||
| 4 | E, I (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | F, J (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 249 | 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 | 8 |
| Total formula weight | 1912.6 | |
| All* | Total formula weight | 38060.3 |
