Structure of PDB 6qu7 Chain A

Receptor sequence
>6qu7A (length=363) Species: 9606 (Homo sapiens) [Search protein sequence]
ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRAFQDSDMLEV
RVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPR
PRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVN
LGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSGKAELRRL
LTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVT
NTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGV
GGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGF
GGVTDAIGADHRR
3D structure
PDB6qu7 The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
ChainA
Resolution1.52 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N145 F149 S215 N217 T218 K255 N284
Catalytic site (residue number reindexed from 1) N114 F118 S184 N186 T187 K222 N251
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 FMN A A96 G97 K100 S120 N145 Y147 N212 K255 N284 T285 S305 G306 V333 G334 G335 L355 Y356 T357 A65 G66 K69 S89 N114 Y116 N181 K222 N251 T252 S272 G273 V300 G301 G302 L322 Y323 T324
BS02 JJE A M43 L46 Q47 P52 A55 H56 A59 L67 Y356 T360 P364 M13 L16 Q17 P22 A25 H26 A29 L37 Y323 T327 P331 BindingDB: IC50=4.17nM
Gene Ontology
Molecular Function
GO:0004151 dihydroorotase activity
GO:0004152 dihydroorotate dehydrogenase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
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:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005829 cytosol
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:6qu7, PDBe:6qu7, PDBj:6qu7
PDBsum6qu7
PubMed30940908
UniProtQ02127|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)

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