Structure of PDB 7k9q Chain A Binding Site BS01

Receptor Information
>7k9q Chain A (length=853) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDRSNFKTCDESSFCKRQRSIRPGLSPYRALLDTLQLGPDALTVHLIHEV
TKVLLVLELQGLQKDMTRIRIDELEPRRPRYRVPDVLVADPPTARLSVSG
RDDNSVELTVAEGPYKIILTAQPFRLDLLEDRSLLLSVNARGLMAFEHQR
AGAWEETFKTHSDSKPYGPTSVGLDFSLPGMEHVYGIPEHADSLRLKVTE
GGEPYRLYNLDVFQYELNNPMALYGSVPVLLAHSFHRDLGIFWLNAAETW
VDISSNTPQTDIRWMSESGIIDVFLMLGPSVFDVFRQYASLTGTQALPPL
FSLGYHQSRWNYRDEADVLEVDQGFDDHNMPCDVIWLDIEHADGKRYFTW
DPTRFPQPLNMLEHLASKRRKLVAIVDPHIKVDSGYRVHEELRNHGLYVK
TRDGSDYEGWCWPGSASYPDFTNPRMRAWWSNMFSFDNYEGSAPNLYVWN
DMNEPSVFNGPEVTMLKDAVHYGGWEHRDIHNIYGLYVHMATADGLIQRS
GGIERPFVLSRAFFSGSQRFGAVWTGDNTAEWDHLKISIPMCLSLALVGL
SFCGADVGGFFKNPEPELLVRWYQMGAYQPFFRAHAHLDTGRREPWLLAS
QYQDAIRDALFQRYSLLPFWYTLFYQAHKEGFPVMRPLWVQYPEDMSTFS
IEDQFMLGDALLIHPVSDAGAHGVQVYLPGQEEVWYDIQSYQKHHGPQTL
YLPVTLSSIPVFQRGGTIVPRWMRVRRSSDCMKDDPITLFVALSPQGTAQ
GELFLDDGHTFNYQTRHEFLLRRFSFSGSTLVSSSADPKGHLETPIWIER
VVIMGAGKPAAVVLQTKGSPESRLSFQHDPETSVLILRKPGVSVASDWSI
HLR
Ligand information
Ligand IDW9S
InChIInChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1
InChIKeyVDLOJRUTNRJDJO-ZYNSJIGGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N
CACTVS 3.385N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C(C1(CO)O)O)O)O)N
CACTVS 3.385N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01NC1C(C(C(C(CO)(C1)O)O)O)O
FormulaC7 H15 N O5
Name(1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
ChEMBLCHEMBL222396
DrugBank
ZINCZINC000005157081
PDB chain7k9q Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7k9q N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W423 D451 I452 W562 D564 M565 R624 D640 F673 H698
Binding residue
(residue number reindexed from 1)		W310 D338 I339 W449 D451 M452 R511 D527 F560 H585
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
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
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006491 N-glycan processing
Cellular Component
GO:0017177 glucosidase II complex
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7k9q, PDBe:7k9q, PDBj:7k9q
PDBsum7k9q
PubMed34870992
UniProtA1A4T2

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