Structure of PDB 3byn Chain A Binding Site BS01

Receptor Information
>3byn Chain A (length=440) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKPYKETYGISHITRHDMLQIPEQQKNEKYQVPEFDSSTIKNISSAKGLD
VWDSWPLQNADGTVANYHGYHIVFALAGDPKNADDTSIYMFYQKVGETSI
DSWKNAGRVFKDSDKFDANDSILKDQTQEWSGSATFTSDGKIRLFYTDFS
GKHYGKQTLTTAQVNVSASDSSLNINGVEDYKSIFDGDGKTYQNVQQFID
EGNYSSGDNHTLRDPHYVEDKGHKYLVFEANTGTEDGYQGEESLFNKAYY
GKSTSFFRQESQKLLQSDKKRTAELANGALGMIELNDDYTLKKVMKPLIA
SNTVTDEIARANVFKMNGKWYLFTDSRGSKMTIDGITSNDIYMLGYVSNS
LTGPYKPLNKTGLVLKMDLDPNDVTFTYSHFAVPQAKGNNVVITSYMTNR
GFYADKQSTFAPSFLLNIKGKKTSVVKDSILEQGQLTVNK
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 chain3byn Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3byn Donor substrate recognition in the raffinose-bound E342A mutant of fructosyltransferase Bacillus subtilis levansucrase
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D86 L109 W163 S164 R246 D247 Y411
Binding residue
(residue number reindexed from 1)		D53 L76 W130 S131 R213 D214 Y378
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D86 S164 D247 A342
Catalytic site (residue number reindexed from 1) D53 S131 D214 A309
Enzyme Commision number 2.4.1.10: levansucrase.
Gene Ontology
Molecular Function
GO:0050053 levansucrase activity
Biological Process
GO:0009758 carbohydrate utilization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3byn, PDBe:3byn, PDBj:3byn
PDBsum3byn
PubMed
UniProtP05655|LSC_BACSU Levansucrase (Gene Name=sacB)

[Back to BioLiP]