Structure of PDB 3kf3 Chain A Binding Site BS01

Receptor Information
>3kf3 Chain A (length=509) Species: 27300 (Schwanniomyces occidentalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSVDTSEYNRPLIHFTPEKGWMNDPNGLFYDKTAKLWHLYFQYNPNATAW
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 chain3kf3 Chain A Residue 600 [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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PDB3kf3 Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N49 D50 Q68 W76 F110 S111 R178 D179 E230 W314
Binding residue
(residue number reindexed from 1)		N23 D24 Q42 W50 F84 S85 R152 D153 E204 W288
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D50 E230
Catalytic site (residue number reindexed from 1) D24 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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3kf3, PDBe:3kf3, PDBj:3kf3
PDBsum3kf3
PubMed20181943
UniProtP24133|INV_SCHOC Invertase (Gene Name=INV)

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