Structure of PDB 6gn6 Chain F Binding Site BS01

Receptor Information
>6gn6 Chain F (length=428) Species: 49283 (Paenibacillus thiaminolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGRHMTLTAREQRIQWFNHDRFGMFIHWGLYAIPARGEWVRSFERIPVED
YEKYFNSFNPVNYDPKAWAKAAKAAGMKYAVMTTKHHDGFCLFDSALTDY
KATNTPAGRDLIREYADAFRAEGLKVGFYYSIIDWHHPDYPAYGDRQHPM
RDNAEFKDRPQDFNRYLDYMHGQVKELLTNYGTIDVLWFDFSYEDMTGEK
WKATELVKMIRELQPNVLIDNRLGGNIKAREPEIYAGDFASPEQLLPPHG
IVNEDGKPLPWEACITLNHHWGYHAHDRDYKTPKQVVRGLVECVSKNGNM
LLNVGPNAKGEIPQLSLDVLGEVGAWMRANGDSIYGCGAAALSKPEWGRY
TQKGNKLYAHILDRGIGPIALQGLNGRVKEARLLADGAEVNIQTPWNAVD
YPDYLFVNIPTAQLPDDFNTVIELTLED
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 chain6gn6 Chain M Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gn6 Active site complementation and hexameric arrangement in the GH family 29; a structure-function study of alpha-l-fucosidase isoenzyme 1 from Paenibacillus thiaminolyticus.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K352 E419
Binding residue
(residue number reindexed from 1)		K356 E423
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.1.51: alpha-L-fucosidase.
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006004 fucose metabolic process
GO:0016139 glycoside catabolic process
Cellular Component
GO:0005764 lysosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gn6, PDBe:6gn6, PDBj:6gn6
PDBsum6gn6
PubMed30544181
UniProtE3PQQ9

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