Structure of PDB 3vss Chain A Binding Site BS03

Receptor Information

>3vss Chain A (length=494)

GLQDGPEPTIHTQQAYAPEDDFTAKWTRADARQLQRMSDPTAPSRENSMP
ASVTMPTVPQDFPDMSNEQVWVWDTWPLTDEDANQYSVNGWEIIFSLVAD
RNLGFDDRHVFAKIGYFYRPAGVPAAERPENGGWTYGGLVFKEGVTGQIF
EDQSFSHQTQWSGSARVSKNGEIKLFFTDVAFYRNSDGTNIKPYDPRIAL
SVGKVKANKKGVTLTGFNKVTDLLQADGTYYQTGAQNEFFNFRDPFTFED
PAHPGETFMVFEGNSAMQRETATCNEADLGYRQGDPYAETVDDVNASGAT
YQIGNVGLAKAKNKQLTEWEFLPPILSANCVTDQTERPQIYFKDGKSYLF
TISHRGTFAAGLDGPEGVYGFVGDGIRSDYQPLNGGSGLALGNPTNLNFL
GGQPFAPDFNQHPGHFQAYSHYVMPGGLVQSFIDTIGTHDDFVRGGTLAP
TVKMDIGVGGDPTKTAVDYSYGSEGLGGWADIPANKHLFTNGKF

Ligand information

• Ligand ID: FRU
• InChI: InChI=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
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 3vss Chain A Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vss Crystal structure of a lactosucrose-producing enzyme, Arthrobacter sp. K-1 beta-fructofuranosidase
• Resolution: 1.97 Å
• Binding residue (original residue number in PDB): E57 H291 E294
• Binding residue (residue number reindexed from 1): E19 H253 E256
• Annotation score: 2

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

External links

• PDB: RCSB:3vss, PDBe:3vss, PDBj:3vss
• PDBsum: 3vss
• PubMed: 23040392
• UniProt: Q8VW87