8W2K
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PAN3F inhibitor
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Tryptophan 2,3-dioxygenase | polymer | 380 | 45182.5 | 4 | UniProt (P48775) Pfam (PF03301) | Homo sapiens (human) | TDO, Tryptamin 2,3-dioxygenase, Tryptophan oxygenase, TRPO, Tryptophan pyrrolase, Tryptophanase |
| 2 | E, H, K, N (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, I, L, O (A, B, C, D) | alpha-methyl-L-tryptophan | non-polymer | 218.3 | 4 | Chemie (ZIQ) | |||
| 4 | G, J, M, P (A, B, C, D) | (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole | non-polymer | 364.4 | 4 | Chemie (A1AE7) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 12 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 18 - 389 (UniProt: P48775)
| PDB | External Database | Details |
|---|---|---|
| Met 17 | - | initiating methionine |
| Glu 390 | - | expression tag |
| His 391 | - | expression tag |
| His 392 | - | expression tag |
| His 393 | - | expression tag |
| His 394 | - | expression tag |
| His 395 | - | expression tag |
| His 396 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 180730.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4796.6 | |
| All* | Total formula weight | 185526.8 |
