Structure of PDB 8aa1 Chain J Binding Site BS01

Receptor Information
>8aa1 Chain J (length=551) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDFLDRQVPQGIVTGDQIASPEYVDNLVISAYAIWATGDDINSSFSLWNY
DVRSDDCYKGGSGTEDGGVFNALEISKGINTTDWNINDIWKRLYQCITRA
NTALQSLDQMDEKTYPLKNQRIAEMRFLRGHAHFMLKQLFKKIVIVNDEN
MEPDAYNELSNTTYTNDEQWQKIADDFQFAYDNLPEVQIEKGRPAQAAAA
AYLAKTYLYKAYRQDGADNALTGINEEDLKQVVKYTDPLIMAKGGYGLET
DYSMNFLPQYENGAESVWAIQYSINDGTYNGNLNWGMGLTTPQILGCCDF
HKPSQNLVNAFKTDSQGKPLFSTYDNENYEVATDNVDPRLFHTVGMPGFP
YKYNEGYIIQKNDDWSRSKGLYGYYVSLKENVDPDCDCLKKGSYWASSLN
HIVIRYADVLLMRAEALIQLNDGRITDAISLINEVRSRAAGSTMLIFNYK
EDYGVNFKVTPYDLKAYAQDEAMKMLKWERRVEFGMESSRFFDLVRWGEA
KDVINAYYVTEASRCSIYKNAGFTENKNEYLPVPFEQISASNGNYTQNFG
W
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 chain8aa1 Chain K Residue 3 [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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PDB8aa1 Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D67 L290 C299 R368 Y395
Binding residue
(residue number reindexed from 1)		D66 L289 C298 R367 Y394
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8aa1, PDBe:8aa1, PDBj:8aa1
PDBsum8aa1
PubMed37286596
UniProtQ8A6W4

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