Structure of PDB 7kyy Chain A

Receptor sequence
>7kyyA (length=376) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]
DPFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDS
IYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQ
TGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSK
HIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQ
EAGKLKNIILSVKEEIDNLEKNFLWFNTTKKKPLVFVKLAPDLNQEQKKE
IADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICE
MYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQ
IKRELNHLLYQRGYYNLKEAIGRKHS
3D structure
PDB7kyy Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
ChainA
Resolution2.0 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) G93 N119 F123 S190 N192 T193 K238 N267
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 A F171 G181 E182 C184 H185 I263 R265 Y528 V532 G535 M536 F16 G26 E27 C29 H30 I108 R110 Y337 V341 G344 M345
BS02 FMN A A225 G226 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529 A70 G71 T94 N119 N187 K238 S286 G287 S314 G315 G316 Y337 S338
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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Biological Process
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Cellular Component
External links
PDB RCSB:7kyy, PDBe:7kyy, PDBj:7kyy
PDBsum7kyy
PubMed33876936
UniProtQ08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)

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