Structure of PDB 3vss Chain A Binding Site BS01

Receptor Information
>3vss Chain A (length=494) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLQDGPEPTIHTQQAYAPEDDFTAKWTRADARQLQRMSDPTAPSRENSMP
ASVTMPTVPQDFPDMSNEQVWVWDTWPLTDEDANQYSVNGWEIIFSLVAD
RNLGFDDRHVFAKIGYFYRPAGVPAAERPENGGWTYGGLVFKEGVTGQIF
EDQSFSHQTQWSGSARVSKNGEIKLFFTDVAFYRNSDGTNIKPYDPRIAL
SVGKVKANKKGVTLTGFNKVTDLLQADGTYYQTGAQNEFFNFRDPFTFED
PAHPGETFMVFEGNSAMQRETATCNEADLGYRQGDPYAETVDDVNASGAT
YQIGNVGLAKAKNKQLTEWEFLPPILSANCVTDQTERPQIYFKDGKSYLF
TISHRGTFAAGLDGPEGVYGFVGDGIRSDYQPLNGGSGLALGNPTNLNFL
GGQPFAPDFNQHPGHFQAYSHYVMPGGLVQSFIDTIGTHDDFVRGGTLAP
TVKMDIGVGGDPTKTAVDYSYGSEGLGGWADIPANKHLFTNGKF
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 chain3vss Chain A Residue 601 [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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PDB3vss Crystal structure of a lactosucrose-producing enzyme, Arthrobacter sp. K-1 beta-fructofuranosidase
Resolution1.97 Å
Binding residue
(original residue number in PDB)		D112 W199 S200 R281 D282 E374 Y457 S458
Binding residue
(residue number reindexed from 1)		D74 W161 S162 R243 D244 E336 Y419 S420
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050053 levansucrase activity
Biological Process
GO:0009758 carbohydrate utilization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vss, PDBe:3vss, PDBj:3vss
PDBsum3vss
PubMed23040392
UniProtQ8VW87

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