Structure of PDB 6ene Chain A Binding Site BS01

Receptor Information
>6ene Chain A (length=329) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIYNKDGNKLDLYGKAVGLHYFSDNDGNDGDKTYARLGFKGETKINDQL
TGYGQWEYNFQGNNSEGADAQSGNKTRLAFAGLKFGDAGSFDYGRNYGLV
YDAIGITDMLPEFGGDTGVSDNFFSGRTGGLATYRNSGFFGLVDGLNFGV
QYLGKNERTDALRSNGDGWATSLSYDFDGFGIVGAYGAADRTNAQQNLQW
GKGDKAEQWATGLKYDANNIYLAALYGEMRNAARLDNGFANKTQDFSVVA
QYQFDFGLRPSIAYYKSKAKDVEGIGDEDYINYIDIGATYYFNKNMSTYV
DYQINQLKDDNKLGINNDDTVAVGLVYQF
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 chain6ene Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ene Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y93 Y152
Binding residue
(residue number reindexed from 1)		Y93 Y152
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ene, PDBe:6ene, PDBj:6ene
PDBsum6ene
PubMed29962203
UniProtA0A0M7H8A9

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