Structure of PDB 7p32 Chain AAA Binding Site BS01

Receptor Information
>7p32 Chain AAA (length=847) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGQPWCFFPPSYPSYK
LENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPA
NRRYEVPLETAPSPLYSVEFSEEPFGVIVHRQLDGRVLLNTTVAPLFFAD
QFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRITLWNRDLAPTPGANLYG
SHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFL
GPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTR
AHFPLDVQWNDLDYMDSRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVD
PAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNP
TALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRGSEDGCPNNELENPPY
VPGVVGGTLQAATICASSHQFLSTHYNLHNLYGLTEAIASHRALVKARGT
RPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVG
ADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSLLSLPQEPYSFSEPAQQ
AMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQ
LLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPIEREPAIHSEGQWV
TLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARG
ELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVT
VLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSLLMGEQFLVSWC
Ligand information
Ligand ID56I
InChIInChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1
InChIKeyQOECHHYORUOADE-PJEQPVAWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(C(C(C1O)O)O)CO)NS(=O)(=O)O
CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NS(=O)(=O)O
CACTVS 3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[C@H]1N[S](O)(=O)=O
FormulaC7 H15 N O7 S
Name[(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid
ChEMBL
DrugBank
ZINC
PDB chain7p32 Chain AAA Residue 1002 [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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PDB7p32 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		W376 D404 W481 D518 M519 R600 W613 D616 F649 H674
Binding residue
(residue number reindexed from 1)		W283 D311 W388 D425 M426 R507 W520 D523 F556 H581
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.20: alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004558 alpha-1,4-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0090599 alpha-glucosidase activity
Biological Process
GO:0000023 maltose metabolic process
GO:0002026 regulation of the force of heart contraction
GO:0002086 diaphragm contraction
GO:0003007 heart morphogenesis
GO:0005975 carbohydrate metabolic process
GO:0005977 glycogen metabolic process
GO:0005980 glycogen catabolic process
GO:0005985 sucrose metabolic process
GO:0006006 glucose metabolic process
GO:0006941 striated muscle contraction
GO:0007040 lysosome organization
GO:0007626 locomotory behavior
GO:0009888 tissue development
GO:0035904 aorta development
GO:0043181 vacuolar sequestering
GO:0046716 muscle cell cellular homeostasis
GO:0050884 neuromuscular process controlling posture
GO:0050885 neuromuscular process controlling balance
GO:0060048 cardiac muscle contraction
GO:0061723 glycophagy
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0035577 azurophil granule membrane
GO:0043202 lysosomal lumen
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome
GO:0070821 tertiary granule membrane
GO:0101003 ficolin-1-rich granule membrane
GO:0120282 autolysosome lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p32, PDBe:7p32, PDBj:7p32
PDBsum7p32
PubMed35917590
UniProtP10253|LYAG_HUMAN Lysosomal alpha-glucosidase (Gene Name=GAA)

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