Structure of PDB 3ujb Chain A Binding Site BS01

Receptor Information
>3ujb Chain A (length=256) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTFLENNQYTDEGVKVYEFIFGENYISSGGLEATKKILSDIELNENSKVL
DIGSGLGGGCMYINEKYGAHTHGIDICSNIVNMANERVSGNNKIIFEAND
ILTKEFPENNFDLIYSRDAILHLSLENKNKLFQKCYKWLKPTGTLLITDY
CATEKENWDDEFKEYVKQRKYTLITVEEYADILTACNFKNVVSKDLSDYW
NQLLEVEHKYLHENKEEFLKLFSEKKFISLDDGWSRKIKDSKRKMQRWGY
FKATKN
Ligand information
Ligand IDOPE
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
FormulaC2 H8 N O4 P
NamePHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
COLAMINE PHOSPHORIC ACID
ChEMBLCHEMBL146972
DrugBankDB01738
ZINCZINC000003870166
PDB chain3ujb Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ujb Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
Resolution1.521 Å
Binding residue
(original residue number in PDB)		Q18 Y19 Y27 Y160 Y175 R179 Y181 K247
Binding residue
(residue number reindexed from 1)		Q8 Y9 Y17 Y150 Y165 R169 Y171 K237
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.103: phosphoethanolamine N-methyltransferase.
Gene Ontology
Molecular Function
GO:0000234 phosphoethanolamine N-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0008654 phospholipid biosynthetic process
GO:0009058 biosynthetic process
GO:0032259 methylation
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ujb, PDBe:3ujb, PDBj:3ujb
PDBsum3ujb
PubMed22117061
UniProtQ8IDQ9|PMT_PLAF7 Phosphoethanolamine N-methyltransferase (Gene Name=PMT)

[Back to BioLiP]