Brand  (β version)

PDB ID: 6MOZ

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Ligands
Code Name Style Show Link
NA Sodium ion PoSSuM
JXA (2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
Code Name Show

Structure summary

Code : 6MOZ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor
Release Data : 2019-06-19
Compound :
mol_id molecule chains synonym
1 Glucosylceramidase A,B Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,D-glucosyl-N-acylsphingosine glucohydrolase,Imiglucerase
ec: 3.2.1.45
mutation: R514H
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Cricetulus griseus  (taxid:10029)
gene: GBA, GC, GLUC
expression_system_organ: OVARY
Authors : Patterson-Orazem, A.C., Lieberman, R.L.
Keywords : TIM-BARREL, GLYCOSIDASE, CEREZYME, HYDROLYSIS, HYDROLASE, INHIBITOR COMPLEX, PHARMACOLOGICAL CHAPERONE
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of beta-glucocerebrosidase inhibition.

Martinez-Bailen, M.,Carmona, A.T.,Patterson-Orazem, A.C.  et al.
(2019)  Bioorg.Chem.  86 : 652 - 664

PubMed: 30825709
DOI: 10.1016/j.bioorg.2019.02.025

Reaction

Chain : A, B
UniProt : P04062 (GBA1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a beta-D-glucosyl-(1<->1')-N-acylsphing-4-enine + H2O = an N- acylsphing-4-enine + D-glucose 3.2.1.45 PubMed:15916907, PubMed:16293621, PubMed:24211208, PubMed:32144204, PubMed:9201993
left-to-right PubMed:16293621, PubMed:32144204
a beta-D-galactosyl-(1<->1')-N-acylsphing-4-enine + H2O = an N-acylsphing-4-enine + D-galactose 3.2.1.46 PubMed:32144204
left-to-right
cholesteryl 3-beta-D-glucoside + H2O = cholesterol + D- glucose - PubMed:24211208, PubMed:33361282
left-to-right PubMed:33361282, PubMed:24211208
a beta-D-glucosyl-(1<->1')-N-acylsphing-4-enine + cholesterol = an N-acylsphing-4-enine + cholesteryl 3-beta-D-glucoside - PubMed:24211208, PubMed:26724485, PubMed:32144204
right-to-left PubMed:32144204
beta-D-glucosyl-N-(9Z-octadecenoyl)-sphing-4E-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-(9Z-octadecenoyl)- sphing-4-enine - PubMed:24211208, PubMed:32144204
right-to-left PubMed:32144204
beta-D-glucosyl-(1<->1')-N-hexadecanoylsphing-4-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-hexadecanoylsphing- 4-enine - PubMed:24211208
right-to-left ECO:0000305
beta-D-glucosyl-N-octanoylsphing-4E-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-octanoylsphing-4-enine - PubMed:24211208
right-to-left ECO:0000305
beta-D-glucosyl-N-dodecanoylsphing-4-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-dodecanoylsphing-4-enine - PubMed:24211208
right-to-left ECO:0000305
beta-D-glucosyl-(1<->1)-N-octadecanoylsphing-4-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-octadecanoylsphing- 4-enine - PubMed:24211208
right-to-left ECO:0000305
beta-D-glucosyl-(1<->1')-N-(15Z-tetracosenoyl)-sphing-4-enine + cholesterol = cholesteryl 3-beta-D-glucoside + N-(15Z- tetracosenoyl)-sphing-4-enine - PubMed:24211208
right-to-left ECO:0000305
a beta-D-galactosyl-(1<->1')-N-acylsphing-4-enine + cholesterol = an N-acylsphing-4-enine + cholesteryl 3-beta-D- galactoside - PubMed:32144204
right-to-left
1-(beta-D-galactosyl)-N-dodecanoylsphing-4-enine + cholesterol = cholesteryl 3-beta-D-galactoside + N-dodecanoylsphing-4-enine - PubMed:32144204
right-to-left
a beta-D-xylosyl-(1<->1')-N-acylsphing-4-enine + cholesterol = an N-acylsphing-4-enine + cholesteryl 3-beta-D-xyloside - PubMed:33361282
left-to-right
beta-D-xylosyl-(1<->1')-N-(9Z-octadecenoyl)-sphing-4-enine + cholesterol = cholesteryl 3-beta-D-xyloside + N-(9Z-octadecenoyl)- sphing-4-enine - PubMed:33361282
left-to-right