7KYY
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-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, C, D (A, B, C, D) | Dihydroorotate dehydrogenase (quinone), mitochondrial | polymer | 401 | 45385.9 | 4 | UniProt (Q08210) Pfam (PF01180) | Plasmodium falciparum (isolate 3D7) | DHOdehase,Dihydroorotate oxidase |
| 2 | E, H, K, N (A, B, C, D) | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide | non-polymer | 416.4 | 4 | Chemie (XCD) | |||
| 3 | F, I, L, O (A, B, C, D) | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 4 | Chemie (FMN) | |||
| 4 | G, J, M, P (A, B, C, D) | OROTIC ACID | non-polymer | 156.1 | 4 | Chemie (ORO) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 486 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 158 - 569 (UniProt: Q08210)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| Gly -18 | - | expression tag |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| Ala -11 | - | expression tag |
| Glu -10 | - | expression tag |
| Asn -9 | - | expression tag |
| Leu -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Ala -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Pro -1 | - | 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 | 4 |
| Total formula weight | 181543.7 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4115.3 | |
| All* | Total formula weight | 185659.0 |
