Structure of PDB 4cq9 Chain A

Receptor sequence

>4cq9A (length=367) Species: 5833 (Plasmodium falciparum)

FLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHL
DFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFR
DVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKN
KDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIIL
SVKEEIDNLEKNNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETN
IDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQI
PIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLL
YQRGYYNLKEAIGRKHS

3D structure

• PDB: 4cq9 In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
• Chain: A
• Resolution: 2.72 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G248 N274 F278 S345 N347 T348 K429 N458
• Catalytic site (residue number reindexed from 1): G83 N109 F113 S180 N182 T183 K229 N258
• 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	A225 G226 K229 T249 I263 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529	A60 G61 K64 T84 I98 N109 N177 K229 S277 G278 S305 G306 G307 Y328 S329
BS02	XBL	A	L172 G181 C184 H185 F188 F227 L240 R265 Y528 L531 V532 M536	L7 G16 C19 H20 F23 F62 L75 R100 Y328 L331 V332 M336	BindingDB: IC50=3.5e+3nM

Gene Ontology

Molecular Function

• GO:0004152 dihydroorotate dehydrogenase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors

Biological Process

• GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0016020 membrane

External links

• PDB: RCSB:4cq9, PDBe:4cq9, PDBj:4cq9
• PDBsum: 4cq9
• PubMed: 24782313
• UniProt: Q08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)