Structure of PDB 3c61 Chain A Binding Site BS01

Receptor Information

>3c61 Chain A (length=314) Species: 5661 (Leishmania donovani)

TMSLQVDLLNNTFANPFMNAAGVMCSTTEDLVAMTESASGSLVSKSCTPA
LREGNPTPRYRALPLGSINSMGLPNNGFDFYLAYAAEQHDYGRKPLFLSM
SGLSVRENVEMCKRLAAVATEKGVILELNLSCPNVPGKPQVAYDFDAMRQ
CLTAVSEVYPHSFGVKMPPYFDFAHFDAAAEILNEFPQVQFITCINSIGN
GLVIDAETESVVIKPKQGFGGLGGRYVLPTALANVNAFYRRCPGKLIFGC
GGVYTGEDAFLHVLAGASMVQVGTALHEEGPAIFERLTAELLDVMAKKGY
QTLDEFRGKVRTLD

Ligand information

• Ligand ID: AZI
• InChI: InChI=1S/N3/c1-3-2/q-1
• InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [N-]=[N+]=[N-]
• Formula: N3
• Name: AZIDE ION
• ChEMBL: CHEMBL79455
• PDB chain: 3c61 Chain A Residue 317

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3c61 Dihydroorotate dehydrogenase from Leishmania donovani.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): A115 T119
• Binding residue (residue number reindexed from 1): A116 T120
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K44 N68 L72 C131 N133 V134 K165 I194
• Catalytic site (residue number reindexed from 1): K45 N69 L73 C132 N134 V135 K166 I195
• Enzyme Commision number: 1.3.98.1: dihydroorotate oxidase (fumarate).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• 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:3c61, PDBe:3c61, PDBj:3c61
• PDBsum: 3c61
• UniProt: D0VWT2