5BOO

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dihydroorotate dehydrogenase (quinone), mitochondrial	polymer	415	46652.3	2	UniProt (Q08210) Pfam (PF01180) In PDB	Plasmodium falciparum (isolate 3D7)	DHOdehase,Dihydroorotate oxidase
2	A, B	2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine	non-polymer		415.3	2	Chemie (D65)
3	A, B	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
4	A, B	OROTIC ACID	non-polymer		156.1	2	Chemie (ORO)

Sequence modifications

A, B: 158 - 569 (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
-	Ser 384	deletion
-	Thr 385	deletion
-	Tyr 386	deletion
-	Asn 387	deletion
-	Glu 388	deletion
-	Asp 389	deletion
-	Asn 390	deletion
-	Lys 391	deletion
-	Ile 392	deletion
-	Val 393	deletion
-	Glu 394	deletion
-	Lys 395	deletion
-	Lys 396	deletion
-	Asn 397	deletion
-	Asn 398	deletion
-	Phe 399	deletion
-	Asn 400	deletion
-	Lys 401	deletion
-	Asn 402	deletion
-	Asn 403	deletion
-	Ser 404	deletion
-	His 405	deletion
-	Met 406	deletion
-	Met 407	deletion
-	Lys 408	deletion
-	Asp 409	deletion
-	Ala 410	deletion
-	Lys 411	deletion
-	Asp 412	deletion
-	Asn 413	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93304.7
Non-Polymers*	Number of molecules	6
	Total formula weight	2055.5
All*	Total formula weight	95360.2

*Water molecules are not included.