Structure of PDB 6cjf Chain B

Receptor sequence
>6cjfB (length=349) Species: 9606 (Homo sapiens) [Search protein sequence]
RFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLSDMLEVRVLGHKFRNPV
GIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQA
VINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAA
EDYAEGVRVLGPLADYLVVNVSSLQGKAELRRLLTKVLQERDGLRRVHRP
AVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSE
TGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGA
SLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRRLEA
3D structure
PDB6cjf Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
ChainB
Resolution1.63 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 K255 N284
Catalytic site (residue number reindexed from 1) N103 F107 S173 K205 N234
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 B A96 G97 K100 S120 N145 N181 N212 K255 N284 T285 S305 G306 V333 G334 G335 Y356 T357 A54 G55 K58 S78 N103 N139 N170 K205 N234 T235 S255 G256 V283 G284 G285 Y306 T307
BS02 F54 B Y38 M43 Q47 P52 A55 H56 A59 R136 Y356 T360 P364 Y3 M8 Q12 P17 A20 H21 A24 R94 Y306 T310 P314 MOAD: ic50=0.0262uM
BindingDB: IC50=26nM
BS03 ZWI B L58 F62 L23 F27
BS04 ZWI B L84 R241 L42 R191
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:6cjf, PDBe:6cjf, PDBj:6cjf
PDBsum6cjf
PubMed29727569
UniProtQ02127|PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (Gene Name=DHODH)

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