8RAK

Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-isopropyl-5-methyl-4-(pyridin-4-yloxy)phenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dihydroorotate dehydrogenase (quinone), mitochondrial	polymer	390	42636.4	1	UniProt (Q02127) Pfam (PF01180) In PDB	Homo sapiens (human)
2	A	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	A	OROTIC ACID	non-polymer		156.1	1	Chemie (ORO)
4	A	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide	non-polymer		402.4	1	Chemie (YMH)
5	A	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
6	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7		water	water		18.0	292	Chemie (HOH)

Sequence modifications

A: 29 - 395 (UniProt: Q02127)

PDB	External Database	Details
Met 6	-	initiating methionine
Gly 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
Ser 18	-	expression tag
Ser 19	-	expression tag
Gly 20	-	expression tag
His 21	-	expression tag
Ile 22	-	expression tag
Asp 23	-	expression tag
Asp 24	-	expression tag
Asp 25	-	expression tag
Asp 26	-	expression tag
Lys 27	-	expression tag
His 28	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42636.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1502.2
All*	Total formula weight	44138.6

*Water molecules are not included.