3URN
Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor
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) | Parathion hydrolase | polymer | 327 | 35557.4 | 2 | UniProt (P0A434) Pfam (PF02126) | Brevundimonas diminuta | Phosphotriesterase, PTE |
| 2 | C, D, G, H (A, B) | COBALT (II) ION | non-polymer | 58.9 | 4 | Chemie (CO) | |||
| 3 | E, I (A, B) | cyclohexyl methylphosphonate | non-polymer | 178.2 | 2 | Chemie (QMP) | |||
| 4 | F, J, K (A, B) | IMIDAZOLE | non-polymer | 69.1 | 3 | Chemie (IMD) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 368 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 361 (UniProt: P0A434)
| PDB | External Database | Details |
|---|---|---|
| Thr 61 | Ser 61 | engineered mutation |
| Val 80 | Ala 80 | engineered mutation |
| Arg 185 | Lys 185 | engineered mutation |
| Gly 254 | His 254 | engineered mutation |
| Trp 257 | His 257 | engineered mutation |
| Asn 274 | Ile 274 | engineered mutation |
| Thr 303 | Leu 303 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71114.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 799.3 | |
| All* | Total formula weight | 71914.1 |
