Structure of PDB 2rgl Chain A Binding Site BS02

Receptor Information
>2rgl Chain A (length=471) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WLGGLSRAAFPKRFVFGTVTSAYQVEGMAASGGRGPSIWDAFAHTPGNVA
GNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQE
GVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTE
YADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSA
TEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTE
DQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKG
SADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQAN
SNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTT
RVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVD
FNTLERHPKASAYWFRDMLKH
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain2rgl Chain A Residue 1004 [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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PDB2rgl Structural Insights into Rice BGlu1 beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E176 Y315 E386 W433 E440 F449
Binding residue
(residue number reindexed from 1)		E171 Y310 E381 W428 E435 F444
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R86 H130 E176 I179 N313 Y315 E386
Catalytic site (residue number reindexed from 1) R81 H125 E171 I174 N308 Y310 E381
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0004567 beta-mannosidase activity
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033907 beta-D-fucosidase activity
GO:0042803 protein homodimerization activity
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
GO:0047668 amygdalin beta-glucosidase activity
GO:0047701 beta-L-arabinosidase activity
GO:0050224 prunasin beta-glucosidase activity
GO:0080079 cellobiose glucosidase activity
GO:0080083 beta-gentiobiose beta-glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2rgl, PDBe:2rgl, PDBj:2rgl
PDBsum2rgl
PubMed18308333
UniProtQ75I93|BGL07_ORYSJ Beta-glucosidase 7 (Gene Name=BGLU7)

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