5F1U
biomimetic design results in a potent allosteric inhibitor of dihydrodipicolinate synthase from Campylobacter jejuni
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | 4-hydroxy-tetrahydrodipicolinate synthase | polymer | 297 | 32563.5 | 4 | UniProt (Q9PPB4) Pfam (PF00701) | Campylobacter jejuni | HTPA synthase |
| 2 | E, Q (A, D) | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid | non-polymer | 318.4 | 2 | Chemie (3VN) | |||
| 3 | F (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 4 | G, H, I, L, M... (A, B, C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 5 | J (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | K (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 302 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 298 (UniProt: Q9PPB4)
| PDB | External Database | Details |
|---|---|---|
| Phe 110 | Tyr 110 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 130254.0 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1637.4 | |
| All* | Total formula weight | 131891.4 |
