Structure of PDB 7wdn Chain A Binding Site BS02

Receptor Information
>7wdn Chain A (length=444) Species: 256318 (metagenome) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPHRFPPDFQWGVATSSYQIEGAVEADGRSPSIWDTFCARPGAIADGSTG
AIANDHYHRYREDIAIMKQLGVNAYRFSIAWPRILPDGRGRVNQAGVDFY
ERLVDSLLEQGIEPYATLYHWDMPQVQHDRTPWYDRGVVDAFVEYTDVIT
RRLSDRVKYWMTLNEPWVISFLGYGAGEHAPGLRDKELYLRAAHHVLLAH
GKAMPVIRANGNAQTKAGIVLNLNWVNAASDSPEDQAAARRYDQFFNRWF
AEPLYNGRYPEELLEWYGRDLVPVQPGDFDIITTPTDFLAVNYYARTTVK
AGSTDPMLQVDFVRPPGEYTAMDWEVYPQGLYNILNWLHTDYAPPALYVT
ENGAAYDDQVSAAGEVDDPQRLAYLEGHFEAAYRAIQAGIPLKGYFVWSL
MDNFEWGRGFEKRFGIVFVDYATQQRIIKRSGKWFSQVTRANGL
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain7wdn Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wdn Crystal structure of metagenomic beta-glycosidase MeBglD2 in complex with various saccharides.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E170 N227 F251 W329
Binding residue
(residue number reindexed from 1)		E165 N222 F246 W324
Annotation score4
Enzymatic activity
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
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wdn, PDBe:7wdn, PDBj:7wdn
PDBsum7wdn
PubMed35723691
UniProtA0A1E1FFN6

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