4OQV
High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Dihydroorotate dehydrogenase (quinone), mitochondrial | polymer | 377 | 41123.9 | 1 | UniProt (Q02127) Pfam (PF01180) In PDB | Homo sapiens (human) | DHOdehase, Dihydroorotate oxidase |
| 2 | A | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 1 | Chemie (FMN) | |||
| 3 | A | OROTIC ACID | non-polymer | 156.1 | 1 | Chemie (ORO) | |||
| 4 | A | N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | non-polymer | 397.2 | 1 | Chemie (2V6) | |||
| 5 | A | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
| 6 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | A | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 8 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 9 | water | water | 18.0 | 358 | Chemie (HOH) |
Sequence modifications
A: 33 - 396 (UniProt: Q02127)
| PDB | External Database | Details |
|---|---|---|
| Asp 397 | - | expression tag |
| Lys 398 | - | expression tag |
| Leu 399 | - | expression tag |
| Ala 400 | - | expression tag |
| Ala 401 | - | expression tag |
| Leu 402 | - | expression tag |
| Glu 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41123.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1363.9 | |
| All* | Total formula weight | 42487.8 |
