Structure of PDB 7wdv Chain A Binding Site BS02

Receptor Information
>7wdv Chain A (length=445) 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
ANGAAYDDQVSAAGEVDDPQRLAYLEGHFEAAYRAIQAGIPLKGYFVWSL
MDNFEWGRGFEKRFGIVFVDYATQQRIIKRSGKWFSQVTRANGLP
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 chain7wdv Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wdv Crystal structure of metagenomic beta-glycosidase MeBglD2 in complex with various saccharides
Resolution1.812 Å
Binding residue
(original residue number in PDB)		Q24 H125 N169 E170 N297 Y299 W403 E410 F419
Binding residue
(residue number reindexed from 1)		Q19 H120 N164 E165 N292 Y294 W398 E405 F414
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:7wdv, PDBe:7wdv, PDBj:7wdv
PDBsum7wdv
PubMed
UniProtA0A1E1FFN6

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