Structure of PDB 8i2r Chain A Binding Site BS02

Receptor Information

>8i2r Chain A (length=477) Species: 31994 (Beijerinckia indica subsp. indica)

YPIPTPHSGQAYDPFADFTAKWTRANARQIKAQSHVPVSPDQNSLPLNLT
MPDIPADFPQTNPDVWVWDTWPLADVHGNQLSFQGWEVIFSLTADPHAGY
VFDDRHVHARIGFFYRKAGIPANQRPIDGGWIYGGHLFPDGSSVKVFGNV
PMTQNAEWSGGARFVKNNNVSLYYTATSFNRNAQGGNITPPIAIISRADG
QIQADDKHVWFTGFDQHLPLLAPDGKYYQTGQQNEFFSFRDPYVFLDPAH
PGKTFMVFEGNTAVQRGSRSCTEADLGYSPNDPNKEDLNAVMDSGAIYQM
ANVGLAVATNDELTQWKFLPPILSGNCVNDQTERPQIYLKDGKYYLFTIS
RRTTYAAGVDGPDGVYGFVGDGIRSDFIPLNGLSGLTLGNPTDLYQPAGA
PYALNPNQNPRTFQSYSHYVMPGGLVESYIDAIGPRRGGALAPTVKININ
GTSTILDRTYGNAGLGGYGDIPANLPA

Ligand information

• Ligand ID: BDF
• InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: LKDRXBCSQODPBY-ARQDHWQXSA-N
• SMILES:
  CACTVS 3.341: OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  ACDLabs 10.04: OC1C(O)(OCC(O)C1O)CO
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)(CO)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-fructopyranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ZINC: ZINC000003861095
• PDB chain: 8i2r Chain A Residue 604

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8i2r Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
• Resolution: 1.36 Å
• Binding residue (original residue number in PDB): T50 K52 S314 D319 S368 N370
• Binding residue (residue number reindexed from 1): T19 K21 S270 D275 S324 N326
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.10: levansucrase.

Gene Ontology

Molecular Function

• GO:0050053 levansucrase activity

Biological Process

• GO:0009758 carbohydrate utilization

External links

• PDB: RCSB:8i2r, PDBe:8i2r, PDBj:8i2r
• PDBsum: 8i2r
• PubMed: 37280168
• UniProt: B2IF78