Structure of PDB 2yft Chain A Binding Site BS01

Receptor Information
>2yft Chain A (length=519) Species: 33959 (Lactobacillus johnsonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAELKGQVKDIVEESGVDTSKLTNDQINELNKINFSKEAKSGTQLTYNDF
KKIAKTLIEQDARYAIPFFNASKIKNMPAAKTLDAQSGKVEDLEIWDSWP
VQDAKTGYVSNWNGYQLVIGMMGVPNVNDNHIYLLYNKYGDNDFNHWKNA
GPIFGLGTPVIQQWSGSATLNKDGSIQLYYTKVDTSDNNTNHQKLASATV
YLNLEKDQDKISIAHVDNDHIVFEGDGYHYQTYDQWKETNKGADNIAMRD
AHVIDDDNGNRYLVFEASTGTENYQGDDQIYQWLNYGGTNKDNLGDFFQI
LSNSDIKDRAKWSNAAIGIIKLNDDVKNPSVAKVYSPLISAPMVSDEIER
PDVVKLGNKYYLFAATRLNRGSNDDAWMATNKAVGDNVAMIGYVSDNLTH
GYVPLNESGVVLTASVPANWRTATYSYYAVPVEGRDDQLLITSYITNRGE
VAGKGMHATWAPSFLLQINPDNTTTVLAKMTNQGDWIWDDSSENPDMMGV
LEKDAPNSAALPGEWGKPV
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2yft Chain B Residue 1 [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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PDB2yft Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		R542 R545
Binding residue
(residue number reindexed from 1)		R367 R370
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D272 S340 D425 E524
Catalytic site (residue number reindexed from 1) D97 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:2yft, PDBe:2yft, PDBj:2yft
PDBsum2yft
PubMed21801732
UniProtQ74K42|INUS_LACJO Inulosucrase (Gene Name=inuJ)

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