Structure of PDB 1y9g Chain A Binding Site BS01

Receptor Information
>1y9g Chain A (length=517) Species: 105351 (Aspergillus awamori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNYDQPYRGQYHFSPQKNWMNDPNGLLYHNGTYHLFFQYNPGGIEWGNIS
WGHAISEDLTHWEEKPVALLARGFGSDVTEMYFSGSAVADVNNTSGFGKD
GKTPLVAMYTSYYPVAQTLPSGQTVQEDQQSQSIAYSLDDGLTWTTYDAA
NPVIPNPPSPYEAEYQNFRDPFVFWHDESQKWVVVTSIAELHKLAIYTSD
NLKDWKLVSEFGPYNAQGGVWECPGLVKLPLDSGNSTKWVITSGLNPGGP
PGTVGSGTQYFVGEFDGTTFTPDADTVYPGNSTANWMDWGPDFYAAAGYN
GLSLNDHVHIGWMNNWQYGANIPTYPWRSAMAIPRHMALKTIGSKATLVQ
QPQEAWSSISNKRPIYSRTFKTLSEGSTNTTTTGETFKVDLSFSAKSKAS
TFAIALRASANFTEQTLVGYDFAKQQIFLDRTHSGDVSFDETFASVYHGP
LTPDSTGVVKLSIFVDRSSVEVFGGQGETTLTAQIFPSSDAVHARLASTG
GTTEDVRADIYKIASTW
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 chain1y9g Chain A Residue 801 [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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PDB1y9g Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		N40 D41 Q57 W65 F102 S103 R188 D189 E241 Y313 W335
Binding residue
(residue number reindexed from 1)		N21 D22 Q38 W46 F83 S84 R169 D170 E222 Y294 W316
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D41 E241
Catalytic site (residue number reindexed from 1) D22 E222
Enzyme Commision number 3.2.1.80: fructan beta-fructosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004575 sucrose alpha-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0051669 fructan beta-fructosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005987 sucrose catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1y9g, PDBe:1y9g, PDBj:1y9g
PDBsum1y9g
PubMed15522299
UniProtQ96TU3|INUE_ASPAW Extracellular exo-inulinase inuE (Gene Name=inuE)

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