Structure of PDB 6nun Chain A Binding Site BS01

Receptor Information
>6nun Chain A (length=516) Species: 1680 (Bifidobacterium adolescentis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFTPDAPVLHEIKNHSEELTKAEAGVAAFAAKRNNRWYPKFHIASNGGWI
NDPNGLCFYKGRWHVFYQLHPYGTQWGPMHWGHVSSADMVNWKREPIMFA
PSLEEEKDGVFSGSAVIGDDGKLKFYYTGHRWANGKDNTGGDWQVQMLAE
PDNDELTSATKRGMVIDCPTDKVNHHYRDPKVWKTGDKWYMTFGVSSAEK
RGQMWLFSSDDMVKWTYEQVLFEHPDSNVFMLECPDFFPIKDVEGNEKWV
IGFSAMGAKPSGFMNRNVNNAGYMIGTWTPGEQFKPETEFRLWDCGHNYY
APQSFNDGKRQIVYGWMSPFVEPIPMQDDGWCGNLTLPREITLGADGDLH
TAPVAEMEGLREDTVDFGAIDLDVSGEKTIVDDAEAVEIEMTIDLANSTA
ERAGLRVHATEDGAYTSVAYDDQIGRVVVDRQANAQGDRGYRTAPLSEAE
LAAGELKLRVYVDRGCVEVYVNDGRQVLSSYSYASEGPRAIKLVAESGTL
KVKSLVLHHMKSIGLE
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 chain6nun Chain A Residue 606 [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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PDB6nun Structure of GH32 from Bifidobacterium adolescentis in complex with fructose
Resolution1.87 Å
Binding residue
(original residue number in PDB)		N53 D54 Q70 M81 F113 S114 R180 D181 E235
Binding residue
(residue number reindexed from 1)		N51 D52 Q68 M79 F111 S112 R178 D179 E233
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:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6nun, PDBe:6nun, PDBj:6nun
PDBsum6nun
PubMed
UniProtA1A2J8

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