Structure of PDB 2fqi Chain A

Receptor sequence

>2fqiA (length=362) Species: 9606 (Homo sapiens) [Search protein sequence]

DERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRAFQDSDMLEVRVL
GHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRV
FRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGK
NKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLL
TKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTN
TTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVG
GVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFG
GVTDAIGADHRR

3D structure

PDB

2fqi Dual binding mode of a novel series of DHODH inhibitors.

Chain

Resolution

1.95 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	G119 N145 F149 S215 N217 T218 K255 N284
Catalytic site (residue number reindexed from 1)	G85 N111 F115 S181 N183 T184 K221 N250
Enzyme Commision number	1.3.5.2: dihydroorotate dehydrogenase (quinone).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FMN	A	A96 G97 K100 S120 N145 N181 N212 K255 N284 T285 S305 G306 V333 G334 G335 L355 Y356 T357	A62 G63 K66 S86 N111 N147 N178 K221 N250 T251 S271 G272 V299 G300 G301 L321 Y322 T323
BS02	ILH	A	L42 Q47 A55 H56 A59 F62 L68 R136 L359 T360 P364	L9 Q14 A22 H23 A26 F29 L35 R102 L325 T326 P330	MOAD: ic50=7nM

Gene Ontology

	Molecular Function
GO:0004151	dihydroorotase activity
GO:0004152	dihydroorotate dehydrogenase activity
GO:0005515	protein binding
GO:0016491	oxidoreductase activity
GO:0016627	oxidoreductase activity, acting on the CH-CH group of donors
GO:0106430	dihydroorotate dehydrogenase (quinone) activity

	Biological Process
GO:0006207	'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221	pyrimidine nucleotide biosynthetic process
GO:0006225	UDP biosynthetic process
GO:0009220	pyrimidine ribonucleotide biosynthetic process
GO:0044205	'de novo' UMP biosynthetic process

	Cellular Component
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005743	mitochondrial inner membrane
GO:0005829	cytosol
GO:0016020	membrane

View graph for
Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:2fqi, PDBe:2fqi, PDBj:2fqi
PDBsum	2fqi
PubMed	16480261
UniProt	Q02127\|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)

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