MolNFT v1 · #180422 · protein
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)
7KYY: “Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with inhibitor DSM697…”. X-ray diffraction, 3 ligands (XCD, FMN, ORO). MolNFT v1 #180422 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KYY
- Type
- protein
- Length
- 1,483 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q08210
- Ligands
- XCD, FMN, ORO
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 376 | — | Q08210 |
| B | — | protein | 364 | — | Q08210 |
| C | — | protein | 372 | — | Q08210 |
| D | — | protein | 371 | — | Q08210 |
Ligands and binding sites
- XCD · 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide · ligand · 4 copies · chains A, B, C, D
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- ORO · Orotic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7KYY · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · the same entry in another collection · chain D against D, TM-score 1.00
- Q08210 · AlphaFold monomer V2.0 prediction for dihydroorotate dehydrogenase (quinone)… · a predicted model of the same protein · chain B against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q08210
- Elsewhere: RCSB PDB 7KYY · PDBe 7KYY · UniProt Q08210
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