Structure of PDB 5mvc Chain A

Receptor sequence
>5mvcA (length=352) Species: 9606 (Homo sapiens) [Search protein sequence]
TGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPFQDSDMLEVRVL
GHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRV
FRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGK
NKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPKAELRRLLTKVLQERDGL
RRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQ
GALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALE
KIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADH
RR
3D structure
PDB5mvc Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
ChainA
Resolution1.85 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) G85 N111 F115 S181 K211 N240
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 N181 N212 K255 N284 T285 S305 V333 G334 G335 L355 Y356 T357 A62 G63 K66 S86 N111 N147 N178 K211 N240 T241 S261 V289 G290 G291 L311 Y312 T313
BS02 Y9B A M43 Q47 P52 A55 A59 L68 R136 T360 P364 M12 Q16 P21 A24 A28 L37 R102 T316 P320 MOAD: ic50=0.016uM
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:5mvc, PDBe:5mvc, PDBj:5mvc
PDBsum5mvc
PubMed28235702
UniProtQ02127|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)

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