3O8A

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348

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 homolog, mitochondrial	polymer	415	46652.3	1	UniProt (Q08210) Pfam (PF01180)	Plasmodium falciparum	DHOdehase, Dihydroorotate oxidase
2	B (A)	N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide	non-polymer		381.4	1	Chemie (O8A)
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)	LAURYL DIMETHYLAMINE-N-OXIDE	non-polymer		229.4	1	Chemie (LDA)
6	F (A)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 158 - 383 (UniProt: Q08210)

PDB	External Database	Details
Met 125	-	expression tag
Gly 126	-	expression tag
Ser 127	-	expression tag
Ser 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
His 133	-	expression tag
His 134	-	expression tag
Ser 135	-	expression tag
Ser 136	-	expression tag
Gly 137	-	expression tag
Leu 138	-	expression tag
Val 139	-	expression tag
Pro 140	-	expression tag
Arg 141	-	expression tag
Gly 142	-	expression tag
Ser 143	-	expression tag
His 144	-	expression tag
Met 145	-	expression tag
Ala 146	-	expression tag
Ser 147	-	expression tag
Met 148	-	expression tag
Thr 149	-	expression tag
Gly 150	-	expression tag
Gly 151	-	expression tag
Gln 152	-	expression tag
Gln 153	-	expression tag
Gly 154	-	expression tag
Arg 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	46652.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1223.2
All*	Total formula weight	47875.6

*Water molecules are not included.