Structure of PDB 3zk1 Chain R Binding Site BS01

Receptor Information
>3zk1 Chain R (length=89) Species: 851 (Fusobacterium nucleatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLLTAKTIVLGCSAVGAGLAMIAGLGPGIGEGYAAGKAVESVARQPEAR
GSIISTMILGQAVAESTGIYSLVIALILLYANPFLSKLG
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 chain3zk1 Chain R Residue 92 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zk1 A New Type of Na(+)-Driven ATP Synthase Membrane Rotor with a Two-Carboxylate Ion-Coupling Motif.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
T5 I9
Binding residue
(residue number reindexed from 1)
T5 I9
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0015078 proton transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006754 ATP biosynthetic process
GO:0015986 proton motive force-driven ATP synthesis
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0045263 proton-transporting ATP synthase complex, coupling factor F(o)

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:3zk1, PDBe:3zk1, PDBj:3zk1
PDBsum3zk1
PubMed23824040
UniProtQ8RGD7|ATPL_FUSNN ATP synthase subunit c (Gene Name=atpE)

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