Structure of PDB 7kyy Chain B

Receptor sequence
>7kyyB (length=364) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]
LYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLD
FINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRD
VESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNK
DTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILS
VKEEIDNLEKNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNID
GMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPI
IASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLLYQ
RGYYNLKEAIGRKH
3D structure
PDB7kyy Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
ChainB
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) G82 N108 F112 S179 N181 T182 K227 N256
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 B F171 L172 G181 E182 C184 H185 F188 I263 R265 Y528 V532 F5 L6 G15 E16 C18 H19 F22 I97 R99 Y326 V330
BS02 FMN B A225 G226 K229 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529 A59 G60 K63 T83 N108 N176 K227 S275 G276 S303 G304 G305 Y326 S327
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:7kyy, PDBe:7kyy, PDBj:7kyy
PDBsum7kyy
PubMed33876936
UniProtQ08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)

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