3KVM

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution

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, mitochondrial	polymer	390	42636.4	1	UniProt (Q02127) Pfam (PF01180) In PDB	Homo sapiens (human)	DHOdehase, Dihydroorotate oxidase
2	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	A	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
4	A	(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID	non-polymer		158.1	1	Chemie (DOR)
5	A	UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		215.4	1	Chemie (DET)
6	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
7	A	2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid	non-polymer		340.8	1	Chemie (951)
8		water	water		18.0	248	Chemie (HOH)

Sequence modifications

A: 30 - 396 (UniProt: Q02127)

PDB	External Database	Details
Met 7	-	expression tag
Gly 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
His 18	-	expression tag
Ser 19	-	expression tag
Ser 20	-	expression tag
Gly 21	-	expression tag
His 22	-	expression tag
Ile 23	-	expression tag
Asp 24	-	expression tag
Asp 25	-	expression tag
Asp 26	-	expression tag
Asp 27	-	expression tag
Lys 28	-	expression tag
His 29	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42636.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1325.7
All*	Total formula weight	43962.1

*Water molecules are not included.