Structure of PDB 7kyk Chain B

Receptor sequence
>7kykB (length=370) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]
NPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTN
IKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKP
RIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVS
IGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLK
NIILSVKEEIDNLEKNNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVL
LETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYT
NKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKREL
NHLLYQRGYYNLKEAIGRKH
3D structure
PDB7kyk Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
ChainB
Resolution2.15 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G248 N274 F278 S345 N347 T348 K429 N458
Catalytic site (residue number reindexed from 1) G87 N113 F117 S184 N186 T187 K233 N262
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 XAJ B Y168 L172 G181 H185 L187 R265 V532 Y7 L11 G20 H24 L26 R104 V336
BS02 FMN B A225 G226 K229 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529 A64 G65 K68 T88 N113 N181 K233 S281 G282 S309 G310 G311 Y332 S333
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:7kyk, PDBe:7kyk, PDBj:7kyk
PDBsum7kyk
PubMed33876936
UniProtQ08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)

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