Structure of PDB 5ief Chain A Binding Site BS01

Receptor Information
>5ief Chain A (length=858) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDRSNFKTCDESSFCKRQRSIRPGLSPYRALLDTLQLGPDALTVHLIHEV
TKVLLVLELQGLQKNMTRIRIDELEPRRPRYRVPDVLVADPPTARLSVSG
RDDNSVELTVAEGPYKIILTAQPFRLDLLEDRSLLLSVNARGLMAFEHQR
APREPGAWEETFKTHSDSKPYGPTSVGLDFSLPGMEHVYGIPEHADSLRL
KVTEGGEPYRLYNLDVFQYELNNPMALYGSVPVLLAHSFHRDLGIFWLNA
AETWVDISSNTPQTDIRWMSESGIIDVFLMLGPSVFDVFRQYASLTGTQA
LPPLFSLGYHQSRWNYRDEADVLEVDQGFDDHNMPCDVIWLDIEHADGKR
YFTWDPTRFPQPLNMLEHLASKRRKLVAIVDPHIKVDSGYRVHEELRNHG
LYVKTRDGSDYEGWCWPGSASYPDFTNPRMRAWWSNMFSFDNYEGSAPNL
YVWNDMNEPSVFNGPEVTMLKDAVHYGGWEHRDIHNIYGLYVHMATADGL
IQRSGGIERPFVLSRAFFSGSQRFGAVWTGDNTAEWDHLKISIPMCLSLA
LVGLSFCGADVGGFFKNPEPELLVRWYQMGAYQPFFRAHAHLDTGRREPW
LLASQYQDAIRDALFQRYSLLPFWYTLFYQAHKEGFPVMRPLWVQYPEDM
STFSIEDQFMLGDALLIHPVSDAGAHGVQVYLPGQEEVWYDIQSYQKHHG
PQTLYLPVTLSSIPVFQRGGTIVPRWMRVRRSSDCMKDDPITLFVALSPQ
GTAQGELFLDDGHTFNYQTRHEFLLRRFSFSGSTLVSSSADPKGHLETPI
WIERVVIMGAGKPAAVVLQTKGSPESRLSFQHDPETSVLILRKPGVSVAS
DWSIHLRA
Ligand information
Ligand IDNBV
InChIInChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyUQRORFVVSGFNRO-UTINFBMNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCN1CC(C(C(C1CO)O)O)O
CACTVS 3.341CCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
ACDLabs 10.04OCC1N(CCCC)CC(O)C(O)C1O
OpenEye OEToolkits 1.5.0CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
CACTVS 3.341CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
FormulaC10 H21 N O4
Name(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
ChEMBLCHEMBL1029
DrugBankDB00419
ZINCZINC000003794711
PDB chain5ief Chain A Residue 1005 [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]
PDB5ief Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		W423 D451 W562 D564 F571 R624 W637 D640 F673 H698
Binding residue
(residue number reindexed from 1)		W314 D342 W453 D455 F462 R515 W528 D531 F564 H589
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.28,IC50=5.2uM
Enzymatic activity
Enzyme Commision number 3.2.1.207: mannosyl-oligosaccharide alpha-1,3-glucosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0005515 protein binding
GO:0015926 glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0033919 glucan 1,3-alpha-glucosidase activity
GO:0090599 alpha-glucosidase activity
GO:0106407 Glc2Man9GlcNAc2 oligosaccharide glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006491 N-glycan processing
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0017177 glucosidase II complex
GO:0042470 melanosome
GO:0043231 intracellular membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ief, PDBe:5ief, PDBj:5ief
PDBsum5ief
PubMed27462106
UniProtQ8BHN3|GANAB_MOUSE Neutral alpha-glucosidase AB (Gene Name=Ganab)

[Back to BioLiP]