5NRF
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chitotriosidase-1 | polymer | 377 | 42224.3 | 1 | UniProt (Q13231) Pfam (PF00704) | Homo sapiens (Human) | Chitinase-1 |
| 2 | B (A) | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine | non-polymer | 410.9 | 1 | Chemie (95Q) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 200 | Chemie (HOH) |
Sequence modifications
A: 22 - 387 (UniProt: Q13231)
| PDB | External Database | Details |
|---|---|---|
| Val 388 | - | expression tag |
| Pro 389 | - | expression tag |
| Arg 390 | - | expression tag |
| Gly 391 | - | expression tag |
| Ser 392 | - | expression tag |
| His 393 | - | expression tag |
| His 394 | - | expression tag |
| His 395 | - | expression tag |
| His 396 | - | expression tag |
| His 397 | - | expression tag |
| His 398 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42224.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 503.0 | |
| All* | Total formula weight | 42727.3 |
