Structure of PDB 3ugg Chain A Binding Site BS02

Receptor Information
>3ugg Chain A (length=524) Species: 74825 (Pachysandra terminalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYPWSNAQLSWQRTAFHFQPERSWMSDPDGPIFYKGWYHFFYQYNPDNPV
WGNNTWGHTVSRDLIHWLYLPLALAADQWYDMQGVFSGSATCLPDGRIMM
LYTGVTKEMVEMLSLAYPADLSDPLLVEWVKYPGNPILSAPPGVSPTEFR
DASTGWYVSNGTWRIAIGAKYNTTGIAMVYETKDFKSFKLLEELLHAVPD
TGLWECVDLYPVSTTGEKGLETSVNGPKVKHVLKASIDEQQRDYYAIGTY
DLGTNKWTPDNPEEDVGIGLRYDWGKYYASKTFYDPKKQRRVVWAWTKEL
DSEVADREKGWANVQTIPRTVLLDQKTGTNVLLWPVEEVESLRLSSKEFS
KVKAGAGSVVPLDVGTATQLDIIAEFEIDKGYNCTTSGGAAERGVLGPFG
LLVSATENLSEQTPVYFYIAKNFKTFFCLDESRSSKASDVSKQVKGFTVP
VLDGEKFTMRLLVDHSIVESFAQGGRSCITSRVYPTEAIYGAAKLFLFNN
ATGASITASLKIWEMNSAFIQPFH
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain3ugg Chain K Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ugg Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D33 Q49 W57 S93 D157 E211 Y284
Binding residue
(residue number reindexed from 1)		D27 Q43 W51 S87 D151 E205 Y278
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D33 E211
Catalytic site (residue number reindexed from 1) D27 E205
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ugg, PDBe:3ugg, PDBj:3ugg
PDBsum3ugg
PubMed22098191
UniProtE3PQS3

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