Structure of PDB 7kyy Chain C

Receptor sequence

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

SYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYAC
TNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNA
KPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVG
VSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGK
LKNIILSVKEEIDNLEKNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADV
LLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNY
TNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRE
LNHLLYQRGYYNLKEAIGRKHS

3D structure

• PDB: 7kyy Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
• Chain: C
• Resolution: 2.0 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): G89 N115 F119 S186 N188 T189 K234 N263
• 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	XCD	C	F171 L172 G181 E182 C184 H185 L187 F188 I263 R265 Y528 V532 G535	F12 L13 G22 E23 C25 H26 L28 F29 I104 R106 Y333 V337 G340
BS02	FMN	C	A225 G226 K229 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529	A66 G67 K70 T90 N115 N183 K234 S282 G283 S310 G311 G312 Y333 S334

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