Structure of PDB 6gn6 Chain C Binding Site BS02

Receptor Information
>6gn6 Chain C (length=421) Species: 49283 (Paenibacillus thiaminolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAREQRIQWFNHDRFGMFIHWGLYAIPARGEWVRSFERIPVEDYEKYFNS
FNPVNYDPKAWAKAAKAAGMKYAVMTTKHHDGFCLFDSALTDYKATNTPA
GRDLIREYADAFRAEGLKVGFYYSIIDWHHPDYPAYGDRQHPMRDNAEFK
DRPQDFNRYLDYMHGQVKELLTNYGTIDVLWFDFSYEDMTGEKWKATELV
KMIRELQPNVLIDNRLGGNIKAREPEIYAGDFASPEQLLPPHGIVNEDGK
PLPWEACITLNHHWGYHAHDRDYKTPKQVVRGLVECVSKNGNMLLNVGPN
AKGEIPQLSLDVLGEVGAWMRANGDSIYGCGAAALSKPEWGRYTQKGNKL
YAHILDRGIGPIALQGLNGRVKEARLLADGAEVNIQTPWNAVDYPDYLFV
NIPTAQLPDDFNTVIELTLED
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 C Residue 501 [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)		H23 E34 W35 H82 H83 Y125 D186 E239 W267
Binding residue
(residue number reindexed from 1)		H20 E31 W32 H79 H80 Y122 D183 E236 W264
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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