Structure of PDB 7wdn Chain A Binding Site BS04

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 504 [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)		K191 W271 Y272 P311 M312
Binding residue
(residue number reindexed from 1)		K186 W266 Y267 P306 M307
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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