Structure of PDB 3wlo Chain A Binding Site BS01

Receptor Information
>3wlo Chain A (length=606) Species: 112509 (Hordeum vulgare subsp. vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHAADYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLR
DNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDA
VHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAP
CIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVA
GKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGV
STVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPA
GSDYSYSVKASILAGLDMIMVPNKYQQFISILTGHVNGGVIPMSRIDDAV
TRILRVKFTMGLFENPYADPAMAEQLGKQEHRDLAREAARKSLVLLKNGK
TSTDAPLLPLPKKAPKILVAGSHADNLGYQCGGWTIEWQGDTGRTTVGTT
ILEAVKAAVDPSTVVVFAENPDAEFVKSGGFSYAIVAVGEHPYTETKGDN
LNLTIPEPGLSTVQAVCGGVRCATVLISGRPVVVQPLLAASDALVAAWLP
GSEGQGVTDALFGDFGFTGRLPRTWFKSVDQLPMNVGDAHYDPLFRLGYG
LTTNAT
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3wlo Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wlo Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D95 R158 K206 H207 D285 E491
Binding residue
(residue number reindexed from 1)		D99 R162 K210 H211 D289 E495
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D285 E491
Catalytic site (residue number reindexed from 1) D289 E495
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:3wlo, PDBe:3wlo, PDBj:3wlo
PDBsum3wlo
PubMed31110237
UniProtQ9XEI3

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