3ARY
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chitinase A | polymer | 584 | 63841.8 | 1 | UniProt (Q9AMP1) Pfam (PF08329) Pfam (PF00704) | Vibrio harveyi | |
| 2 | B, C (A) | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole | non-polymer | 243.3 | 2 | Chemie (I5I) | |||
| 3 | D, E, F (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | G (A) | water | water | 18.0 | 951 | Chemie (HOH) |
Sequence modifications
A: 22 - 597 (UniProt: Q9AMP1)
| PDB | External Database | Details |
|---|---|---|
| Arg 598 | - | expression tag |
| Ser 599 | - | expression tag |
| His 600 | - | expression tag |
| His 601 | - | expression tag |
| His 602 | - | expression tag |
| His 603 | - | expression tag |
| His 604 | - | expression tag |
| His 605 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 63841.8 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 762.8 | |
| All* | Total formula weight | 64604.6 |
