7KZY
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-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, B | Dihydroorotate dehydrogenase (quinone), mitochondrial | polymer | 401 | 45385.9 | 2 | UniProt (Q08210) Pfam (PF01180) In PDB | Plasmodium falciparum (isolate 3D7) | DHOdehase,Dihydroorotate oxidase |
| 2 | A, B | 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide | non-polymer | 417.4 | 2 | Chemie (XCM) | |||
| 3 | A, B | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 2 | Chemie (FMN) | |||
| 4 | A, B | OROTIC ACID | non-polymer | 156.1 | 2 | Chemie (ORO) | |||
| 5 | water | water | 18.0 | 472 | Chemie (HOH) |
Sequence modifications
A, B: 158 - 569 (UniProt: Q08210)
| PDB | External Database | Details |
|---|---|---|
| Met -12 | - | initiating methionine |
| Gly -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| Ala -4 | - | expression tag |
| Glu -3 | - | expression tag |
| Asn -2 | - | expression tag |
| Leu 150 | - | expression tag |
| Tyr 151 | - | expression tag |
| Phe 152 | - | expression tag |
| Gln 153 | - | expression tag |
| Gly 154 | - | expression tag |
| Ala 155 | - | expression tag |
| Asp 156 | - | expression tag |
| Pro 157 | - | expression tag |
| - | 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 | 2 |
| Total formula weight | 90771.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2059.7 | |
| All* | Total formula weight | 92831.6 |
