6B7F
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one
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 | 167 | 18902.7 | 2 | UniProt (P0A6I6) Pfam (PF01467) | Escherichia coli (strain K12) | Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT |
| 2 | C, G (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 3 | D (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 4 | E, J, K, L (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | F (A) | PYROPHOSPHATE 2- | non-polymer | 176.0 | 1 | Chemie (POP) | |||
| 6 | H (B) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 7 | I (B) | (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one | non-polymer | 268.3 | 1 | Chemie (CW4) | |||
| 8 | M, N (A, B) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 159 (UniProt: P0A6I6)
| PDB | External Database | Details |
|---|---|---|
| Val 160 | - | expression tag |
| Asp 161 | - | expression tag |
| His 162 | - | expression tag |
| His 163 | - | expression tag |
| His 164 | - | expression tag |
| His 165 | - | expression tag |
| His 166 | - | expression tag |
| His 167 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37805.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1146.0 | |
| All* | Total formula weight | 38951.5 |
