Structure of PDB 4zod Chain A Binding Site BS01

Receptor Information
>4zod Chain A (length=720) 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
WLNRDVLRGEMEFDGVLISDWGAVAEVINHGTARNPKEAAQFSMEAGVDL
EMMTTCYIHELKGLIEEGKLSENLLDEAVLRMLNLKNDLGLFEDPYRGLR
TKDILTDESRGKARAAGVESAVLLENKSRLLPLAKEAKIALVGPLATSPD
ILGGWNVYGEEKDGINVETGLREVFETVEVVSTEYTELSEEDKVAVKAAV
QNMDVVVLALGEKNEWGGEAGSLATIRLPEAQYQLAKFVQTLGKPVVITL
FNGRPLEVKELAESSDALLELWFPGTEAGRVTADLLSGASNPSGKLSMSF
PQTTGQIPVYYNHLRTGRPQTPENKGERYVSHYLDIPNEPFYPFGYGKSY
SEFELKTSSLPKELNLGESLHVEVTIKNISDIAGKEVIQVYLQDVTASIS
RPVKELKAFEKVALQAGEEKTVTFELTSEAFSFYNHQLEKVQEPGLHRVF
VGTSSEDVDVFEVEVGGYVL
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 chain4zod Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zod Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D91 F135 R149 K191 H192 D270 E473
Binding residue
(residue number reindexed from 1)		D91 F135 R149 K191 H192 D270 E469
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D270 G471
Catalytic site (residue number reindexed from 1) D270 G467
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zod, PDBe:4zod, PDBj:4zod
PDBsum4zod
PubMed26886583
UniProtQ92AS9

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