7KYV
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dihydroorotate dehydrogenase (quinone), mitochondrial | polymer | 382 | 43162.5 | 1 | UniProt (Q08210) Pfam (PF01180) | Plasmodium falciparum (isolate 3D7) | DHOdehase,Dihydroorotate oxidase |
| 2 | B (A) | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide | non-polymer | 391.4 | 1 | Chemie (XBY) | |||
| 3 | C (A) | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 1 | Chemie (FMN) | |||
| 4 | D (A) | OROTIC ACID | non-polymer | 156.1 | 1 | Chemie (ORO) | |||
| 5 | E, F, G, H (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | I (A) | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A: 158 - 569 (UniProt: Q08210)
| PDB | External Database | Details |
|---|---|---|
| - | Ser 384 | deletion |
| - | Thr 385 | deletion |
| - | Tyr 386 | deletion |
| - | Asn 387 | deletion |
| - | Glu 388 | deletion |
| - | Asp 389 | deletion |
| - | Asn 390 | deletion |
| - | Lys 391 | deletion |
| - | Ile 392 | deletion |
| - | Val 393 | deletion |
| - | Glu 394 | deletion |
| - | Lys 395 | deletion |
| - | Lys 396 | deletion |
| - | Asn 397 | deletion |
| - | Asn 398 | deletion |
| - | Phe 399 | deletion |
| - | Asn 400 | deletion |
| - | Lys 401 | deletion |
| - | Asn 402 | deletion |
| - | Asn 403 | deletion |
| - | Ser 404 | deletion |
| - | His 405 | deletion |
| - | Met 406 | deletion |
| - | Met 407 | deletion |
| - | Lys 408 | deletion |
| - | Asp 409 | deletion |
| - | Ala 410 | deletion |
| - | Lys 411 | deletion |
| - | Asp 412 | deletion |
| - | Asn 413 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43162.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1372.2 | |
| All* | Total formula weight | 44534.7 |
