Structure of PDB 3wlj Chain A Binding Site BS03

Receptor Information
>3wlj Chain A (length=602) Species: 112509 (Hordeum vulgare subsp. vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFI
GSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQ
NNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAV
CRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNK
VAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVM
ISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDY
SYSVKASILAGLDMIMVPNKYQQFISILTGHVNGGVIPMSRIDDAVTRIL
RVKFTMGLFENPYADPAMAEQLGKQEHRDLAREAARKSLVLLKNGKTSTD
APLLPLPKKAPKILVAGSHADNLGYQCGGWTIEWQGDTGRTTVGTTILEA
VKAAVDPSTVVVFAENPDAEFVKSGGFSYAIVAVGEHPYTETKGDNLNLT
IPEPGLSTVQAVCGGVRCATVLISGRPVVVQPLLAASDALVAAWLPGSEG
QGVTDALFGDFGFTGRLPRTWFKSVDQLPMNVGDAHYDPLFRLGYGLTTN
AT
Ligand information
Ligand ID3DO
InChIInChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyRJDIFQMDPPUATQ-SLPGGIOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)C[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O)C[C@@H]1O
ACDLabs 12.01OC1C(OC(O)C(O)C1)CO
OpenEye OEToolkits 1.7.6C1C(C(OC(C1O)O)CO)O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O
FormulaC6 H12 O5
Name3-deoxy-beta-D-glucopyranose;
3-deoxy-beta-D-ribo-hexopyranose;
3-deoxy-beta-D-glucose;
3-deoxy-D-glucose;
3-deoxy-glucose
ChEMBL
DrugBank
ZINCZINC000013547141
PDB chain3wlj Chain A Residue 716 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wlj Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		G56 G57 W286 W430 W434 E491
Binding residue
(residue number reindexed from 1)		G56 G57 W286 W430 W434 E491
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D285 E491
Catalytic site (residue number reindexed from 1) D285 E491
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
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:3wlj, PDBe:3wlj, PDBj:3wlj
PDBsum3wlj
PubMed31110237
UniProtQ9XEI3

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