6CKW
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)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 | Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT |
| 2 | C, J (A, B) | (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 | non-polymer | 477.0 | 2 | Chemie (F6D) | |||
| 3 | D, E, F, I, K... (A, B) | SULFATE ION | non-polymer | 96.1 | 9 | Chemie (SO4) | |||
| 4 | G, H, O, Q (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 5 | R (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 6 | S, T (A, B) | water | water | 18.0 | 235 | 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 | 16 |
| Total formula weight | 2325.2 | |
| All* | Total formula weight | 38472.9 |
