Structure of PDB 8aa1 Chain J Binding Site BS05

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8aa1 Chain J Residue 601 [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)		E262 Y273 S399 N401
Binding residue
(residue number reindexed from 1)		E261 Y272 S398 N400
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
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Cellular Component
External links
PDB RCSB:8aa1, PDBe:8aa1, PDBj:8aa1
PDBsum8aa1
PubMed37286596
UniProtQ8A6W4

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