MolNFT v1 · #180451 · protein

Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol- 3-YL)ETHYL)-3-methyl-4-(1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-yl) cyclopropyl)-1H-pyrrole-2-carboxamide)

7L01: “Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with inhibitor DSM782…”. X-ray diffraction, 3 ligands (XCV, FMN, ORO). MolNFT v1 #180451 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7L01
Type: protein
Length: 757 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q08210
Ligands: XCV, FMN, ORO

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	372	—	Q08210
B	—	protein	385	—	Q08210

Ligands and binding sites

XCV · N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide · ligand · 2 copies · chains A, B
FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
ORO · Orotic acid · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

7L01 · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · the same entry in another collection · chain A against A, TM-score 1.00
Q08210 · AlphaFold monomer V2.0 prediction for dihydroorotate dehydrogenase (quinone)… · a predicted model of the same protein · chain A 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 7L01 · PDBe 7L01 · UniProt Q08210

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