Structure of PDB 2f1t Chain A Binding Site BS01

Receptor Information
>2f1t Chain A (length=183) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAGEFFMRAGSATVRPTEGGGFSVTNNTQLGLTFTYMATDNIGVELLAAT
PFRHKIGTRATGDIATVHHLPPTLMAQWYFGDASSKFRPYVGAGINYTTF
FDNGFNDHGKEAGLSDLSLKDSWGAAGQVGVDYLINRDWLVNMSVWYMDI
DTTANYKLGGAQQHDSVRLDPWVFMFSAGYRFH
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain2f1t Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f1t The outer membrane protein OmpW forms an eight-stranded beta-barrel with a hydrophobic channel.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A10 L41
Binding residue
(residue number reindexed from 1)		A9 L32
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f1t, PDBe:2f1t, PDBj:2f1t
PDBsum2f1t
PubMed16414958
UniProtP0A915|OMPW_ECOLI Outer membrane protein W (Gene Name=ompW)

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