Structure of PDB 8aa1 Chain B Binding Site BS04

Receptor Information
>8aa1 Chain B (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 C Residue 7 [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)		C298 K392 S394
Binding residue
(residue number reindexed from 1)		C297 K391 S393
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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