4CQ9

Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	DIHYDROOROTATE DEHYDROGENASE	polymer	401	45385.9	2	UniProt (Q54A96) Pfam (PF01180) UniProt (by SIFTS) (Q08210)	PLASMODIUM FALCIPARUM
2	C, F (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3	D, G (A, B)	OROTIC ACID	non-polymer		156.1	2	Chemie (ORO)
4	E, H (A, B)	6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine	non-polymer		315.4	2	Chemie (XBL)
5	I, J (A, B)	water	water		18.0	369	Chemie (HOH)

Sequence modifications

A, B: 158 - 383 (UniProt: Q54A96)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90771.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1855.6
All*	Total formula weight	92627.5

*Water molecules are not included.