Structure of PDB 6nu8 Chain A Binding Site BS01

Receptor Information
>6nu8 Chain A (length=488) Species: 679196 (Lactobacillus gasseri 224-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWTREQRYRKYKDWDAQTLLDLQAQAATSPYQMHYHIHPLSGLLNDPNGF
SYYNGEYHLFCQSYPFGPVHGVKSWIHFASPDLVHWHYLGPAIDPDSDLD
NAGAYSGSAMEHNGKLLLMYTGNHRDEDWTRIPYQVIAEMDENNHITKPD
AAAILPPEHVSEHFRDPQLFKHDGKYYVLLGAQDAETKSGHIDIYESDDL
KTWHENGYLDLGKDEMGYMIECPNLVFVNNYPVLIFCPQGLDKAISDYQN
IYPNMYWIGKDINLNEAKFTPLQSHPANLDDGFDVYATQAFNAPDGNAYA
ISWVGLPDCTYPTDKENWANCYSQVKRLEIKDGALYQHPVDAIKNLRHNE
TQLNDEKIISQKAGKQYELKLYLAAGQAGKLHLASNDDLSASLVIDFNTA
QDAKLTIDRASSGPAVNPDYGATRTIGLNDNEDLDLDIFVDGSLCEIFIN
DGRHVATLRFFARSSNQKIAFDKDTKYTGRLWSMNSIL
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 chain6nu8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nu8 Structure of sucrose-6-phosphate hydrolase from Lactobacillus gasseri in complex with fructose
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N46 D47 Q63 Y106 S107 R166 D167 E222
Binding residue
(residue number reindexed from 1)		N45 D46 Q62 Y105 S106 R165 D166 E221
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004564 beta-fructofuranosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005985 sucrose metabolic process
Cellular Component
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:6nu8, PDBe:6nu8, PDBj:6nu8
PDBsum6nu8
PubMed
UniProtD1YK18

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