Structure of PDB 8i2r Chain A Binding Site BS01

Receptor Information
>8i2r Chain A (length=477) Species: 31994 (Beijerinckia indica subsp. indica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPIPTPHSGQAYDPFADFTAKWTRANARQIKAQSHVPVSPDQNSLPLNLT
MPDIPADFPQTNPDVWVWDTWPLADVHGNQLSFQGWEVIFSLTADPHAGY
VFDDRHVHARIGFFYRKAGIPANQRPIDGGWIYGGHLFPDGSSVKVFGNV
PMTQNAEWSGGARFVKNNNVSLYYTATSFNRNAQGGNITPPIAIISRADG
QIQADDKHVWFTGFDQHLPLLAPDGKYYQTGQQNEFFSFRDPYVFLDPAH
PGKTFMVFEGNTAVQRGSRSCTEADLGYSPNDPNKEDLNAVMDSGAIYQM
ANVGLAVATNDELTQWKFLPPILSGNCVNDQTERPQIYLKDGKYYLFTIS
RRTTYAAGVDGPDGVYGFVGDGIRSDFIPLNGLSGLTLGNPTDLYQPAGA
PYALNPNQNPRTFQSYSHYVMPGGLVESYIDAIGPRRGGALAPTVKININ
GTSTILDRTYGNAGLGGYGDIPANLPA
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 chain8i2r Chain A Residue 603 [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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PDB8i2r Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		W99 D100 W189 R284 D285 E377
Binding residue
(residue number reindexed from 1)		W68 D69 W158 R240 D241 E333
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.10: levansucrase.
Gene Ontology
Molecular Function
GO:0050053 levansucrase activity
Biological Process
GO:0009758 carbohydrate utilization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8i2r, PDBe:8i2r, PDBj:8i2r
PDBsum8i2r
PubMed37280168
UniProtB2IF78

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