Structure of PDB 3aou Chain E Binding Site BS01

Receptor Information
>3aou Chain E (length=156) Species: 1354 (Enterococcus hirae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMDYLITQNGGMVFAVLAMATATIFSGIGSAKGVGMTGEAAAALTTSQPE
KFGQALILQLLPGTQGLYGFVIAFLIFINLGSDMSVVQGLNFLGASLPIA
FTGLFSGIAQGKVAAAGIQILAKKPEHATKGIIFAAMVETYAILGFVISF
LLVLNA
Ligand information
Ligand IDDCW
InChIInChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyADFXKUOMJKEIND-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCC(CC1)NC(=O)NC2CCCCC2
ACDLabs 12.01
CACTVS 3.385		O=C(NC1CCCCC1)NC2CCCCC2
FormulaC13 H24 N2 O
NameDICYCLOHEXYLUREA
ChEMBLCHEMBL1458
DrugBank
ZINCZINC000000157375
PDB chain3aou Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aou Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		L61 E139 T140
Binding residue
(residue number reindexed from 1)		L61 E139 T140
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046961 proton-transporting ATPase activity, rotational mechanism
Biological Process
GO:0006814 sodium ion transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0033179 proton-transporting V-type ATPase, V0 domain

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3aou, PDBe:3aou, PDBj:3aou
PDBsum3aou
PubMed21813759
UniProtP43457|NTPK_ENTHA V-type sodium ATPase subunit K (Gene Name=ntpK)

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