Structure of PDB 3aou Chain I Binding Site BS01

Receptor Information
>3aou Chain I (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 I 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)		T64 A136 E139 T140 I143
Binding residue
(residue number reindexed from 1)		T64 A136 E139 T140 I143
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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