Structure of PDB 4zoc Chain B Binding Site BS01

Receptor Information
>4zoc Chain B (length=724) Species: 272626 (Listeria innocua Clip11262) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQEKVQELVSQMTLDEKIAQCLQLSPFLFKGTNKNAELTGPLLQEMKLT
DAHTENAGSVLGSSSALDMIGIQEAYLKTNRLGIPLVFMADVIHGYKTVF
PIPLALGCSFDRETVRVMAEVSALEATADGHHVTFSPMLDLVRDPRWGRV
MESTGEDPFLNSELGKAMVDGYQGDASKLNENLEQMAACVKHFAAYGAAE
AGLEYNTVNMSTRELYQNYLPAYNAAIQAGAKLVMTAFNVVDGIPATMNK
WLNRDVLRGEMEFDGVLISAWGAVAEVINHGTARNPKEAAQFSMEAGVDL
EMMTTCYIHELKGLIEEGKLSENLLDEAVLRMLNLKNDLGLFEDPYRGLK
NNDRTKDILTDESRGKARAAGVESAVLLENKSRLLPLAKEAKIALVGPLA
TSPDILGGWNVYGEEKDGINVETGLREVFETVEVVSTEYTELSEEDKVAV
KAAVQNMDVVVLALGEKNEWGGEAGSLATIRLPEAQYQLAKFVQTLGKPV
VITLFNGRPLEVKELAESSDALLELWFPGTEAGRVTADLLSGASNPSGKL
SMSFPQTTGQIPVYYNHLRTGRPQTPENKGERYVSHYLDIPNEPFYPFGY
GKSYSEFELKTSSLPKELNLGESLHVEVTIKNISDIAGKEVIQVYLQDVT
ASISRPVKELKAFEKVALQAGEEKTVTFELTSEAFSFYNHQLEKVQEPGL
HRVFVGTSSEDVDVFEVEVGGYVL
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 chain4zoc Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zoc Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Resolution1.79 Å
Binding residue
(original residue number in PDB)		R572 Y583
Binding residue
(residue number reindexed from 1)		R572 Y583
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A270 G471
Catalytic site (residue number reindexed from 1) A270 G471
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zoc, PDBe:4zoc, PDBj:4zoc
PDBsum4zoc
PubMed26886583
UniProtQ92AS9

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