6B7C
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
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, I (A, B) | N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine | non-polymer | 256.3 | 2 | Chemie (CWP) | |||
| 3 | D, E, J, K (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | F, L, M (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 5 | G, N (A, B) | PYROPHOSPHATE 2- | non-polymer | 176.0 | 2 | Chemie (POP) | |||
| 6 | H, O, P (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 7 | Q, R (A, B) | water | water | 18.0 | 422 | 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 | 14 |
| Total formula weight | 1801.5 | |
| All* | Total formula weight | 39607.0 |
