3URQ
Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H 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 | 35462.3 | 2 | UniProt (P0A434) Pfam (PF02126) | Brevundimonas diminuta | Phosphotriesterase, PTE |
| 2 | C, D, I, J (A, B) | COBALT (II) ION | non-polymer | 58.9 | 4 | Chemie (CO) | |||
| 3 | E, K (A, B) | cyclohexyl methylphosphonate | non-polymer | 178.2 | 2 | Chemie (QMP) | |||
| 4 | F, G, H, L (A, B) | IMIDAZOLE | non-polymer | 69.1 | 4 | Chemie (IMD) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 316 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 361 (UniProt: P0A434)
| PDB | External Database | Details |
|---|---|---|
| His 67 | Arg 67 | engineered mutation |
| Val 80 | Ala 80 | engineered mutation |
| Cys 106 | Ile 106 | engineered mutation |
| Ile 132 | Phe 132 | engineered mutation |
| Arg 185 | Lys 185 | engineered mutation |
| Gly 254 | His 254 | engineered mutation |
| Trp 257 | His 257 | engineered mutation |
| Ile 271 | Leu 271 | engineered mutation |
| Asn 274 | Ile 274 | engineered mutation |
| Thr 303 | Leu 303 | engineered mutation |
| Leu 317 | Met 317 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 70924.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 868.4 | |
| All* | Total formula weight | 71792.9 |
