9N6O

Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with 5-(4-hydroxy-3-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione

This is a non-PDB format compatible entry.

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	347	37401.8	2	UniProt (E9AI53) Pfam (PF01180)	Leishmania braziliensis
2	C, F (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, G (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
4	E, H (A, B)	5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione	non-polymer		264.2	2	Chemie (A1BZM)
5	I, J, K (B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	L, M (A, B)	water	water		18.0	130	Chemie (HOH)

Sequence modifications

A, B: 1 - 313 (UniProt: E9AI53)

PDB	External Database	Details
Met -33	-	initiating methionine
Gly -32	-	expression tag
Ser -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Pro -18	-	expression tag
Arg -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74803.6
Non-Polymers*	Number of molecules	9
	Total formula weight	1913.5
All*	Total formula weight	76717.1

*Water molecules are not included.