9I98
Cryo-EM structure of Shigella flexneri LptDE bound by a Bicyclic peptide molecule (Compound 13)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | LPS-assembly protein LptD | polymer | 760 | 87135.5 | 1 | UniProt (Q83SQ0) Pfam (PF03968) Pfam (PF04453) | Shigella flexneri | |
| 2 | B (B) | LPS-assembly lipoprotein LptE | polymer | 181 | 20338.1 | 1 | UniProt (Q83LX4) Pfam (PF04390) | Shigella flexneri | |
| 3 | C (C) | Compound 13 - Bicyclic Peptide binder | polymer | 18 | 1992.2 | 1 | synthetic construct | ||
| 4 | D, E, F (A) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 3 | Chemie (LMT) | |||
| 5 | G (C) | 1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone | non-polymer | 316.6 | 1 | Chemie (R06) |
Sequence modifications
B: 999 - 1173 (UniProt: Q83LX4)
| PDB | External Database | Details |
|---|---|---|
| His 1174 | - | expression tag |
| His 1175 | - | expression tag |
| His 1176 | - | expression tag |
| His 1177 | - | expression tag |
| His 1178 | - | expression tag |
| His 1179 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 109465.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1848.4 | |
| All* | Total formula weight | 111314.2 |
