Structure of PDB 3u14 Chain B Binding Site BS03

Receptor Information
>3u14 Chain B (length=509) Species: 27300 (Schwanniomyces occidentalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSVDTSEYNRPLIHFTPEKGWMNAPNGLFYDKTAKLWHLYFQYNPNATAW
GQPLYWGHATSNDLVHWDEHEIAIGPEHDNEGIFSGSIVVDHNNTSGFFN
SSIDPNQRIVAIYTNNIPDNQTQDIAFSLDGGYTFTKYENNPVIDVSSNQ
FRDPKVFWHEDSNQWIMVVSKSQEYKIQIFGSANLKNWVLNSNFSSGYYG
NQYECPGLIEVPIENSDKSKWVMFLAINPGSPLGGSINQYFVGDFDGFQF
VPDDSQTRFVDIGKDFYAFQTFSEVEHGVLGLAWASNWQYADQVPTNPWR
SSTSLARNYTLRYVHTNAETKQLTLIQNPVLPDSINVVDKLKKKNVKLTN
KKPIKTNFKGSTGLFDFNITFKVLNLNVSPGKTHFDILINSQELNSSVDS
IKIGFDSSQSSFYIDRHIPNVEFPRKQFFTDKLAAYLEPLDYDQDLRVFS
LYGIVDKNIIELYFNDGTVAMTNTFFMGEGKYPHDIQIVTDTEEPLFELE
SVIIRELNK
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 chain3u14 Chain D Residue 5 [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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PDB3u14 Structural and kinetic insights reveal that the amino acid pair GLN228/ASN254 modulates the transfructosylating specificity of Schwanniomyces occidentalis beta-fructofuranosidase, an enzyme that produces prebiotics.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		R178 E230
Binding residue
(residue number reindexed from 1)		R152 E204
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A50 E230
Catalytic site (residue number reindexed from 1) A24 E204
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3u14, PDBe:3u14, PDBj:3u14
PDBsum3u14
PubMed22511773
UniProtE5D0X5

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