Structure of PDB 2nt0 Chain B Binding Site BS03
Receptor Information
>2nt0 Chain B (length=497) Species:
9606
(Homo sapiens) [
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ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRME
LSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPA
QNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLP
EEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQ
PGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLG
FTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPE
AAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQ
SVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDS
PIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALM
HPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ
Ligand information
Ligand ID
GOL
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370
OCC(O)CO
Formula
C3 H8 O3
Name
GLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBL
CHEMBL692
DrugBank
DB09462
ZINC
ZINC000000895048
PDB chain
2nt0 Chain B Residue 508 [
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Receptor-Ligand Complex Structure
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PDB
2nt0
Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Resolution
1.79 Å
Binding residue
(original residue number in PDB)
D24 S25 F26 R48
Binding residue
(residue number reindexed from 1)
D24 S25 F26 R48
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
E235 E340 C342 N370
Catalytic site (residue number reindexed from 1)
E235 E340 C342 N370
Enzyme Commision number
2.4.1.-
3.2.1.-
3.2.1.45
: glucosylceramidase.
3.2.1.46
: galactosylceramidase.
Gene Ontology
Molecular Function
GO:0004336
galactosylceramidase activity
GO:0004348
glucosylceramidase activity
GO:0005102
signaling receptor binding
GO:0005124
scavenger receptor binding
GO:0005515
protein binding
GO:0008422
beta-glucosidase activity
GO:0016757
glycosyltransferase activity
GO:0016787
hydrolase activity
GO:0016798
hydrolase activity, acting on glycosyl bonds
GO:0046527
glucosyltransferase activity
GO:0050295
steryl-beta-glucosidase activity
Biological Process
GO:0006665
sphingolipid metabolic process
GO:0006678
glucosylceramide metabolic process
GO:0006680
glucosylceramide catabolic process
GO:0006914
autophagy
GO:0007005
mitochondrion organization
GO:0007040
lysosome organization
GO:0007417
central nervous system development
GO:0008203
cholesterol metabolic process
GO:0008340
determination of adult lifespan
GO:0009267
cellular response to starvation
GO:0009268
response to pH
GO:0014004
microglia differentiation
GO:0016241
regulation of macroautophagy
GO:0019882
antigen processing and presentation
GO:0019915
lipid storage
GO:0021694
cerebellar Purkinje cell layer formation
GO:0021859
pyramidal neuron differentiation
GO:0022904
respiratory electron transport chain
GO:0023021
termination of signal transduction
GO:0030259
lipid glycosylation
GO:0031175
neuron projection development
GO:0031333
negative regulation of protein-containing complex assembly
GO:0032006
regulation of TOR signaling
GO:0032436
positive regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0032715
negative regulation of interleukin-6 production
GO:0033077
T cell differentiation in thymus
GO:0033574
response to testosterone
GO:0042391
regulation of membrane potential
GO:0043161
proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0043243
positive regulation of protein-containing complex disassembly
GO:0043407
negative regulation of MAP kinase activity
GO:0043524
negative regulation of neuron apoptotic process
GO:0043627
response to estrogen
GO:0046512
sphingosine biosynthetic process
GO:0046513
ceramide biosynthetic process
GO:0048469
cell maturation
GO:0048854
brain morphogenesis
GO:0048872
homeostasis of number of cells
GO:0050728
negative regulation of inflammatory response
GO:0050877
nervous system process
GO:0050905
neuromuscular process
GO:0051246
regulation of protein metabolic process
GO:0051248
negative regulation of protein metabolic process
GO:0051402
neuron apoptotic process
GO:0061436
establishment of skin barrier
GO:0061518
microglial cell proliferation
GO:0061744
motor behavior
GO:0071356
cellular response to tumor necrosis factor
GO:0071425
hematopoietic stem cell proliferation
GO:0071548
response to dexamethasone
GO:0072676
lymphocyte migration
GO:0097066
response to thyroid hormone
GO:0098773
skin epidermis development
GO:1901805
beta-glucoside catabolic process
GO:1903052
positive regulation of proteolysis involved in protein catabolic process
GO:1903061
positive regulation of protein lipidation
GO:1904457
positive regulation of neuronal action potential
GO:1905037
autophagosome organization
GO:1905165
regulation of lysosomal protein catabolic process
Cellular Component
GO:0005615
extracellular space
GO:0005764
lysosome
GO:0005765
lysosomal membrane
GO:0005783
endoplasmic reticulum
GO:0005794
Golgi apparatus
GO:0005802
trans-Golgi network
GO:0016020
membrane
GO:0043202
lysosomal lumen
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:2nt0
,
PDBe:2nt0
,
PDBj:2nt0
PDBsum
2nt0
PubMed
17187079
UniProt
P04062
|GBA1_HUMAN Lysosomal acid glucosylceramidase (Gene Name=GBA1)
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