Structure of PDB 7l01 Chain A

Receptor sequence

>7l01A (length=372) Species: 36329 (Plasmodium falciparum 3D7)

ESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYA
CTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGN
AKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIV
GVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAG
KLKNIILSVKEEIDNLEKNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIAD
VLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYN
YTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKR
ELNHLLYQRGYYNLKEAIGRKH

3D structure

• PDB: 7l01 Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
• Chain: A
• Resolution: 1.6 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): G90 N116 F120 S187 N189 T190 K235 N264
• 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	XCV	A	L172 G181 E182 C184 H185 F188 K229 I263 R265 Y528 L531 V532 G535 M536	L14 G23 E24 C26 H27 F30 K71 I105 R107 Y334 L337 V338 G341 M342
BS02	FMN	A	A225 G226 K229 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529	A67 G68 K71 T91 N116 N184 K235 S283 G284 S311 G312 G313 Y334 S335

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:7l01, PDBe:7l01, PDBj:7l01
• PDBsum: 7l01
• PubMed: 33876936
• UniProt: Q08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)