Structure of PDB 2yfs Chain A Binding Site BS03

Receptor Information
>2yfs Chain A (length=533) Species: 33959 (Lactobacillus johnsonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAELKGQVKDIVEESGVDTSKLTNDQINELNKINFSKEAKSGTQLTYNDF
KKIAKTLIEQDARYAIPFFNASKIKNMPAAKTLDAQSGKVEDLEIWNSWP
VQDAKTGYVSNWNGYQLVIGMMGVPNVNDNHIYLLYNKYGDNDFNHWKNA
GPIFGLGTPVIQQWSGSATLNKDGSIQLYYTKVDTSDNNTNHQKLASATV
YLNLEKDQDKISIAHVDNDHIVFEGDGYHYQTYDQWKETNKGADNIAMRD
AHVIDDDNGNRYLVFEASTGTENYQGDDQIYQWLNYGGTNKDNLGDFFQI
LSNSDIKDRAKWSNAAIGIIKLNDDVKNPSVAKVYSPLISAPMVSDEIER
PDVVKLGNKYYLFAATRLNRGSNDDAWMATNKAVGDNVAMIGYVSDNLTH
GYVPLNESGVVLTASVPANWRTATYSYYAVPVEGRDDQLLITSYITNRGE
VAGKGMHATWAPSFLLQINPDNTTTVLAKMTNQGDWIWDDSSENPDMMGV
LEKDAPNSAALPGEWGKPVDWDLIGGYNLKPHQ
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 chain2yfs Chain C Residue 2 [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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PDB2yfs Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N301 V302 R623
Binding residue
(residue number reindexed from 1)		N126 V127 R448
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N272 S340 D425 E524
Catalytic site (residue number reindexed from 1) N97 S165 D250 E349
Enzyme Commision number 2.4.1.9: inulosucrase.
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:2yfs, PDBe:2yfs, PDBj:2yfs
PDBsum2yfs
PubMed21801732
UniProtQ74K42|INUS_LACJO Inulosucrase (Gene Name=inuJ)

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