Structure of PDB 6fmd Chain A

Receptor sequence
>6fmdA (length=357) Species: 9606 (Homo sapiens) [Search protein sequence]
ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLE
VRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNP
RPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGV
NLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPGKAELRRLLTKVLQ
ERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSR
PAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSG
QDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDA
IGADHRR
3D structure
PDB6fmd Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.
ChainA
Resolution1.58 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G119 N145 F149 S215 K255 N284
Catalytic site (residue number reindexed from 1) G89 N115 F119 S185 K216 N245
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 DUH A M43 Q47 P52 A55 H56 A59 V134 R136 Y356 T360 P364 M13 Q17 P22 A25 H26 A29 V104 R106 Y317 T321 P325 MOAD: ic50=0.0012uM
BindingDB: IC50=1.2nM
BS02 FMN A A96 G97 K100 S120 N145 N181 N212 K255 N284 T285 S305 G306 G334 G335 Y356 T357 A66 G67 K70 S90 N115 N151 N182 K216 N245 T246 S266 G267 G295 G296 Y317 T318
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:6fmd, PDBe:6fmd, PDBj:6fmd
PDBsum6fmd
PubMed29939742
UniProtQ02127|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)

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