Structure of PDB 5a43 Chain A Binding Site BS01

Receptor Information
>5a43 Chain A (length=124) Species: 585035 (Escherichia coli S88) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKSLFAVIIGGSVGCTLRWLLSTKFNSLFPNLPPGTLVVNLLAGLIIGTM
LAYFLRQPHLDPFWKLMITTGLCGGLSTFSTFSVEVFALLQAGNYIWALT
SVLVHVIGSLIMTALGFFIITILF
Ligand information
Ligand IDDMU
InChIInChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyWOQQAWHSKSSAGF-WXFJLFHKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.370CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
FormulaC22 H42 O11
NameDECYL-BETA-D-MALTOPYRANOSIDE;
DECYLMALTOSIDE
ChEMBL
DrugBank
ZINCZINC000085482724
PDB chain5a43 Chain A Residue 1127 [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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PDB5a43 Crystal Structures of a Double-Barrelled Fluoride Ion Channel.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		Q92 Y96
Binding residue
(residue number reindexed from 1)		Q91 Y95
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0062054 fluoride channel activity
GO:1903425 fluoride transmembrane transporter activity
Biological Process
GO:0034220 monoatomic ion transmembrane transport
GO:0140114 cellular detoxification of fluoride
GO:1903424 fluoride transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5a43, PDBe:5a43, PDBj:5a43
PDBsum5a43
PubMed26344196
UniProtB7LI20|FLUC_ECO45 Fluoride-specific ion channel FluC (Gene Name=fluC)

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