5TPG
Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tryptophan 5-hydroxylase 1 | polymer | 307 | 35471.3 | 1 | UniProt (P17752) Pfam (PF00351) | Homo sapiens (Human) | Tryptophan 5-monooxygenase 1 |
| 2 | B (A) | FE (III) ION | non-polymer | 55.8 | 1 | Chemie (FE) | |||
| 3 | C (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 4 | D, E (A) | ACETONITRILE | non-polymer | 41.1 | 2 | Chemie (CCN) | |||
| 5 | F (A) | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid | non-polymer | 640.1 | 1 | Chemie (7H5) | |||
| 6 | G (A) | water | water | 18.0 | 176 | Chemie (HOH) |
Sequence modifications
A: 104 - 402 (UniProt: P17752)
| PDB | External Database | Details |
|---|---|---|
| His 403 | - | expression tag |
| His 404 | - | expression tag |
| His 405 | - | expression tag |
| His 406 | - | expression tag |
| His 407 | - | expression tag |
| His 408 | - | expression tag |
| His 409 | - | expression tag |
| His 410 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35471.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 900.2 | |
| All* | Total formula weight | 36371.5 |
