Structure of PDB 3w87 Chain A

Receptor sequence

>3w87A (length=314) Species: 353153 (Trypanosoma cruzi strain CL Brener)

SMCLKLNLLDHVFANPFMNAAGVLCSTEEDLRCMTASSSGALVSKSCTSA
PRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDYSKKPLFLSI
SGLSVEENVAMVRRLAPVAQEKGVLLELNLSCPNVPGKPQVAYDFEAMRT
YLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGN
GLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRCPDKLVFGC
GGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGY
RTLEEFRGRVKTIE

3D structure

• PDB: 3w87 Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103
• Chain: A
• Resolution: 1.43 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K43 N67 L71 C130 N132 V133 K164 V193
• Catalytic site (residue number reindexed from 1): K45 N69 L73 C132 N134 V135 K166 V195
• Enzyme Commision number: 1.3.98.1: dihydroorotate oxidase (fumarate).

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	W87	A	R50 N53 N67 M69 L71 P131 N194 S195	R52 N55 N69 M71 L73 P133 N196 S197
BS02	FMN	A	A18 A19 G20 K43 S44 Y58 N67 M69 N127 K164 V193 N194 G221 G222 I225 C248 G249 G250 G271 T272	A20 A21 G22 K45 S46 Y60 N69 M71 N129 K166 V195 N196 G223 G224 I227 C250 G251 G252 G273 T274

Gene Ontology

Molecular Function

• GO:0004152 dihydroorotate dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:1990663 dihydroorotate dehydrogenase (fumarate) activity

Biological Process

• GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
• GO:0006221 pyrimidine nucleotide biosynthetic process
• GO:0006222 UMP biosynthetic process
• GO:0044205 'de novo' UMP biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3w87, PDBe:3w87, PDBj:3w87
• PDBsum: 3w87
• UniProt: Q4D3W2|PYRD_TRYCC Dihydroorotate dehydrogenase (fumarate) (Gene Name=pyr4)