Structure of PDB 6vty Chain A

Receptor sequence
>6vtyA (length=377) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]
ADPFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSND
SIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRG
QTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLS
KHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDN
QEAGKLKNIILSVKEEIDNLEKNNFLWFNTTKKKPLVFVKLAPDLNQEQK
KEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFI
CEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSA
VQIKRELNHLLYQRGYYNLKEAIGRKH
3D structure
PDB6vty Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
ChainA
Resolution1.78 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N274 F278 S345 N347 T348 K429 N458
Catalytic site (residue number reindexed from 1) N120 F124 S191 N193 T194 K240 N269
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 RLA A F171 G181 C184 H185 L187 F188 I263 R265 V532 M536 F17 G27 C30 H31 L33 F34 I109 R111 V343 M347 MOAD: ic50=0.1uM
BS02 FMN A A225 G226 K229 T249 N274 N342 K429 S477 G478 S505 G506 G507 Y528 S529 A71 G72 K75 T95 N120 N188 K240 S288 G289 S316 G317 G318 Y339 S340
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:6vty, PDBe:6vty, PDBj:6vty
PDBsum6vty
PubMed32248693
UniProtQ08210|PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=PFF0160c)

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