Structure of PDB 9bko Chain A

Receptor sequence

>9bkoA (length=366) Species: 9606 (Homo sapiens)

ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLE
VRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNP
RPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGV
NLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAEL
RRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGL
IVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPI
IGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKE
QGFGGVTDAIGADHRR

3D structure

• PDB: 9bko Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
• Chain: A
• Resolution: 1.44 Å

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	FMN	A	A96 G97 K100 S120 N145 Y147 N181 N212 K255 N284 T285 S305 G306 V333 G334 G335 L355 Y356 T357	A66 G67 K70 S90 N115 Y117 N151 N182 K225 N254 T255 S275 G276 V303 G304 G305 L325 Y326 T327
BS02	A1AQL	A	M43 L46 Q47 P52 A55 H56 L58 A59 F62 L67 Y356 L359 T360 P364	M13 L16 Q17 P22 A25 H26 L28 A29 F32 L37 Y326 L329 T330 P334

Gene Ontology

Molecular Function

• GO:0004151 dihydroorotase activity
• GO:0004152 dihydroorotate dehydrogenase activity
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0106430 dihydroorotate dehydrogenase (quinone) activity

Biological Process

• GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
• GO:0006221 pyrimidine nucleotide biosynthetic process
• GO:0006225 UDP biosynthetic process
• GO:0009220 pyrimidine ribonucleotide biosynthetic process
• GO:0044205 'de novo' UMP biosynthetic process

Cellular Component

• GO:0005654 nucleoplasm
• GO:0005739 mitochondrion
• GO:0005743 mitochondrial inner membrane
• GO:0005829 cytosol

External links

• PDB: RCSB:9bko, PDBe:9bko, PDBj:9bko
• PDBsum: 9bko
• PubMed: 38889244
• UniProt: Q02127|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)