Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3RIL

The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004336	molecular_function	galactosylceramidase activity
A	0004348	molecular_function	glucosylceramidase activity
A	0005102	molecular_function	signaling receptor binding
A	0005124	molecular_function	scavenger receptor binding
A	0005515	molecular_function	protein binding
A	0005615	cellular_component	extracellular space
A	0005764	cellular_component	lysosome
A	0005765	cellular_component	lysosomal membrane
A	0005783	cellular_component	endoplasmic reticulum
A	0005794	cellular_component	Golgi apparatus
A	0005802	cellular_component	trans-Golgi network
A	0006629	biological_process	lipid metabolic process
A	0006665	biological_process	sphingolipid metabolic process
A	0006680	biological_process	glucosylceramide catabolic process
A	0006914	biological_process	autophagy
A	0007005	biological_process	mitochondrion organization
A	0007040	biological_process	lysosome organization
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0008422	molecular_function	beta-glucosidase activity
A	0009247	biological_process	glycolipid biosynthetic process
A	0009267	biological_process	cellular response to starvation
A	0009268	biological_process	response to pH
A	0010605	biological_process	negative regulation of macromolecule metabolic process
A	0016241	biological_process	regulation of macroautophagy
A	0016740	molecular_function	transferase activity
A	0016757	molecular_function	glycosyltransferase activity
A	0016787	molecular_function	hydrolase activity
A	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
A	0023021	biological_process	termination of signal transduction
A	0030163	biological_process	protein catabolic process
A	0031175	biological_process	neuron projection development
A	0032006	biological_process	regulation of TOR signaling
A	0032715	biological_process	negative regulation of interleukin-6 production
A	0033574	biological_process	response to testosterone
A	0042176	biological_process	regulation of protein catabolic process
A	0042391	biological_process	regulation of membrane potential
A	0043202	cellular_component	lysosomal lumen
A	0043409	biological_process	negative regulation of MAPK cascade
A	0043627	biological_process	response to estrogen
A	0046512	biological_process	sphingosine biosynthetic process
A	0046513	biological_process	ceramide biosynthetic process
A	0046527	molecular_function	glucosyltransferase activity
A	0050295	molecular_function	steryl-beta-glucosidase activity
A	0050728	biological_process	negative regulation of inflammatory response
A	0061436	biological_process	establishment of skin barrier
A	0070062	cellular_component	extracellular exosome
A	0071356	biological_process	cellular response to tumor necrosis factor
A	0071548	biological_process	response to dexamethasone
A	0097066	biological_process	response to thyroid hormone
A	0098773	biological_process	skin epidermis development
A	1901805	biological_process	beta-glucoside catabolic process
A	1904457	biological_process	positive regulation of neuronal action potential
A	1905146	biological_process	lysosomal protein catabolic process
A	1905165	biological_process	regulation of lysosomal protein catabolic process
B	0004336	molecular_function	galactosylceramidase activity
B	0004348	molecular_function	glucosylceramidase activity
B	0005102	molecular_function	signaling receptor binding
B	0005124	molecular_function	scavenger receptor binding
B	0005515	molecular_function	protein binding
B	0005615	cellular_component	extracellular space
B	0005764	cellular_component	lysosome
B	0005765	cellular_component	lysosomal membrane
B	0005783	cellular_component	endoplasmic reticulum
B	0005794	cellular_component	Golgi apparatus
B	0005802	cellular_component	trans-Golgi network
B	0006629	biological_process	lipid metabolic process
B	0006665	biological_process	sphingolipid metabolic process
B	0006680	biological_process	glucosylceramide catabolic process
B	0006914	biological_process	autophagy
B	0007005	biological_process	mitochondrion organization
B	0007040	biological_process	lysosome organization
B	0008202	biological_process	steroid metabolic process
B	0008203	biological_process	cholesterol metabolic process
B	0008422	molecular_function	beta-glucosidase activity
B	0009247	biological_process	glycolipid biosynthetic process
B	0009267	biological_process	cellular response to starvation
B	0009268	biological_process	response to pH
B	0010605	biological_process	negative regulation of macromolecule metabolic process
B	0016241	biological_process	regulation of macroautophagy
B	0016740	molecular_function	transferase activity
B	0016757	molecular_function	glycosyltransferase activity
B	0016787	molecular_function	hydrolase activity
B	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
B	0023021	biological_process	termination of signal transduction
B	0030163	biological_process	protein catabolic process
B	0031175	biological_process	neuron projection development
B	0032006	biological_process	regulation of TOR signaling
B	0032715	biological_process	negative regulation of interleukin-6 production
B	0033574	biological_process	response to testosterone
B	0042176	biological_process	regulation of protein catabolic process
B	0042391	biological_process	regulation of membrane potential
B	0043202	cellular_component	lysosomal lumen
B	0043409	biological_process	negative regulation of MAPK cascade
B	0043627	biological_process	response to estrogen
B	0046512	biological_process	sphingosine biosynthetic process
B	0046513	biological_process	ceramide biosynthetic process
B	0046527	molecular_function	glucosyltransferase activity
B	0050295	molecular_function	steryl-beta-glucosidase activity
B	0050728	biological_process	negative regulation of inflammatory response
B	0061436	biological_process	establishment of skin barrier
B	0070062	cellular_component	extracellular exosome
B	0071356	biological_process	cellular response to tumor necrosis factor
B	0071548	biological_process	response to dexamethasone
B	0097066	biological_process	response to thyroid hormone
B	0098773	biological_process	skin epidermis development
B	1901805	biological_process	beta-glucoside catabolic process
B	1904457	biological_process	positive regulation of neuronal action potential
B	1905146	biological_process	lysosomal protein catabolic process
B	1905165	biological_process	regulation of lysosomal protein catabolic process
C	0004336	molecular_function	galactosylceramidase activity
C	0004348	molecular_function	glucosylceramidase activity
C	0005102	molecular_function	signaling receptor binding
C	0005124	molecular_function	scavenger receptor binding
C	0005515	molecular_function	protein binding
C	0005615	cellular_component	extracellular space
C	0005764	cellular_component	lysosome
C	0005765	cellular_component	lysosomal membrane
C	0005783	cellular_component	endoplasmic reticulum
C	0005794	cellular_component	Golgi apparatus
C	0005802	cellular_component	trans-Golgi network
C	0006629	biological_process	lipid metabolic process
C	0006665	biological_process	sphingolipid metabolic process
C	0006680	biological_process	glucosylceramide catabolic process
C	0006914	biological_process	autophagy
C	0007005	biological_process	mitochondrion organization
C	0007040	biological_process	lysosome organization
C	0008202	biological_process	steroid metabolic process
C	0008203	biological_process	cholesterol metabolic process
C	0008422	molecular_function	beta-glucosidase activity
C	0009247	biological_process	glycolipid biosynthetic process
C	0009267	biological_process	cellular response to starvation
C	0009268	biological_process	response to pH
C	0010605	biological_process	negative regulation of macromolecule metabolic process
C	0016241	biological_process	regulation of macroautophagy
C	0016740	molecular_function	transferase activity
C	0016757	molecular_function	glycosyltransferase activity
C	0016787	molecular_function	hydrolase activity
C	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
C	0023021	biological_process	termination of signal transduction
C	0030163	biological_process	protein catabolic process
C	0031175	biological_process	neuron projection development
C	0032006	biological_process	regulation of TOR signaling
C	0032715	biological_process	negative regulation of interleukin-6 production
C	0033574	biological_process	response to testosterone
C	0042176	biological_process	regulation of protein catabolic process
C	0042391	biological_process	regulation of membrane potential
C	0043202	cellular_component	lysosomal lumen
C	0043409	biological_process	negative regulation of MAPK cascade
C	0043627	biological_process	response to estrogen
C	0046512	biological_process	sphingosine biosynthetic process
C	0046513	biological_process	ceramide biosynthetic process
C	0046527	molecular_function	glucosyltransferase activity
C	0050295	molecular_function	steryl-beta-glucosidase activity
C	0050728	biological_process	negative regulation of inflammatory response
C	0061436	biological_process	establishment of skin barrier
C	0070062	cellular_component	extracellular exosome
C	0071356	biological_process	cellular response to tumor necrosis factor
C	0071548	biological_process	response to dexamethasone
C	0097066	biological_process	response to thyroid hormone
C	0098773	biological_process	skin epidermis development
C	1901805	biological_process	beta-glucoside catabolic process
C	1904457	biological_process	positive regulation of neuronal action potential
C	1905146	biological_process	lysosomal protein catabolic process
C	1905165	biological_process	regulation of lysosomal protein catabolic process
D	0004336	molecular_function	galactosylceramidase activity
D	0004348	molecular_function	glucosylceramidase activity
D	0005102	molecular_function	signaling receptor binding
D	0005124	molecular_function	scavenger receptor binding
D	0005515	molecular_function	protein binding
D	0005615	cellular_component	extracellular space
D	0005764	cellular_component	lysosome
D	0005765	cellular_component	lysosomal membrane
D	0005783	cellular_component	endoplasmic reticulum
D	0005794	cellular_component	Golgi apparatus
D	0005802	cellular_component	trans-Golgi network
D	0006629	biological_process	lipid metabolic process
D	0006665	biological_process	sphingolipid metabolic process
D	0006680	biological_process	glucosylceramide catabolic process
D	0006914	biological_process	autophagy
D	0007005	biological_process	mitochondrion organization
D	0007040	biological_process	lysosome organization
D	0008202	biological_process	steroid metabolic process
D	0008203	biological_process	cholesterol metabolic process
D	0008422	molecular_function	beta-glucosidase activity
D	0009247	biological_process	glycolipid biosynthetic process
D	0009267	biological_process	cellular response to starvation
D	0009268	biological_process	response to pH
D	0010605	biological_process	negative regulation of macromolecule metabolic process
D	0016241	biological_process	regulation of macroautophagy
D	0016740	molecular_function	transferase activity
D	0016757	molecular_function	glycosyltransferase activity
D	0016787	molecular_function	hydrolase activity
D	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
D	0023021	biological_process	termination of signal transduction
D	0030163	biological_process	protein catabolic process
D	0031175	biological_process	neuron projection development
D	0032006	biological_process	regulation of TOR signaling
D	0032715	biological_process	negative regulation of interleukin-6 production
D	0033574	biological_process	response to testosterone
D	0042176	biological_process	regulation of protein catabolic process
D	0042391	biological_process	regulation of membrane potential
D	0043202	cellular_component	lysosomal lumen
D	0043409	biological_process	negative regulation of MAPK cascade
D	0043627	biological_process	response to estrogen
D	0046512	biological_process	sphingosine biosynthetic process
D	0046513	biological_process	ceramide biosynthetic process
D	0046527	molecular_function	glucosyltransferase activity
D	0050295	molecular_function	steryl-beta-glucosidase activity
D	0050728	biological_process	negative regulation of inflammatory response
D	0061436	biological_process	establishment of skin barrier
D	0070062	cellular_component	extracellular exosome
D	0071356	biological_process	cellular response to tumor necrosis factor
D	0071548	biological_process	response to dexamethasone
D	0097066	biological_process	response to thyroid hormone
D	0098773	biological_process	skin epidermis development
D	1901805	biological_process	beta-glucoside catabolic process
D	1904457	biological_process	positive regulation of neuronal action potential
D	1905146	biological_process	lysosomal protein catabolic process
D	1905165	biological_process	regulation of lysosomal protein catabolic process

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"15817452","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"15817452","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12792654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17139081","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12754519","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17139081","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12754519","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17139081","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12754519","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 764

Chain	Residue	Details
A	GLU235	activator, increase nucleophilicity, promote heterolysis, proton acceptor, proton donor
A	GLU340	covalently attached, nucleofuge, nucleophile
A	CYS342	electrostatic stabiliser
A	ASN370

site_id	MCSA2
Number of Residues	4
Details	M-CSA 764

Chain	Residue	Details
B	GLU235	activator, increase nucleophilicity, promote heterolysis, proton acceptor, proton donor
B	GLU340	covalently attached, nucleofuge, nucleophile
B	CYS342	electrostatic stabiliser
B	ASN370

site_id	MCSA3
Number of Residues	4
Details	M-CSA 764

Chain	Residue	Details
C	GLU235	activator, increase nucleophilicity, promote heterolysis, proton acceptor, proton donor
C	GLU340	covalently attached, nucleofuge, nucleophile
C	CYS342	electrostatic stabiliser
C	ASN370

site_id	MCSA4
Number of Residues	4
Details	M-CSA 764

Chain	Residue	Details
D	GLU235	activator, increase nucleophilicity, promote heterolysis, proton acceptor, proton donor
D	GLU340	covalently attached, nucleofuge, nucleophile
D	CYS342	electrostatic stabiliser
D	ASN370

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)