4ORM

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)

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	401	45385.9	1	UniProt (Q08210) Pfam (PF01180)	Plasmodium falciparum	DHOdehase, Dihydroorotate oxidase
2	B (A)	N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine	non-polymer		397.2	1	Chemie (2V6)
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 (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	F, G (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	H (A)	water	water		18.0	117	Chemie (HOH)

Sequence modifications

A: 158 - 383 (UniProt: Q08210)

PDB	External Database	Details
Met 139	-	expression tag
Gly 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
His 145	-	expression tag
His 146	-	expression tag
Ala 147	-	expression tag
Glu 148	-	expression tag
Asn 149	-	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

A: 414 - 569 (UniProt: Q08210)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45385.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1293.9
All*	Total formula weight	46679.8

*Water molecules are not included.