3I2I
Cocaine Esterase with mutation T172R, bound to DTT adduct
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cocaine esterase | polymer | 587 | 63766.2 | 1 | UniProt (Q9L9D7) Pfam (PF02129) Pfam (PF08530) | Rhodococcus sp. MB1 'Bresler 1999' | |
| 2 | B, C, D, J, K... (A) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 3 | E (A) | (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL | non-polymer | 182.3 | 1 | Chemie (DBC) | |||
| 4 | F, G, H (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | I (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | N (A) | water | water | 18.0 | 504 | Chemie (HOH) |
Sequence modifications
A: 1 - 574 (UniProt: Q9L9D7)
| PDB | External Database | Details |
|---|---|---|
| Arg 172 | Thr 172 | engineered mutation |
| Lys 575 | - | expression tag |
| Leu 576 | - | expression tag |
| Ala 577 | - | expression tag |
| Ala 578 | - | expression tag |
| Ala 579 | - | expression tag |
| Leu 580 | - | expression tag |
| Glu 581 | - | expression tag |
| His 582 | - | expression tag |
| His 583 | - | expression tag |
| His 584 | - | expression tag |
| His 585 | - | expression tag |
| His 586 | - | expression tag |
| His 587 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 63766.2 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 802.8 | |
| All* | Total formula weight | 64569.0 |
