Structure of PDB 2xe5 Chain B Binding Site BS02

Receptor Information
>2xe5 Chain B (length=343) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIYNKDGNKLDLYGKVEGLHYFSDNDSKDGDKTYMRLGFKGETQVTDQL
TGYGQWEYQIQGNEPESDNSSWTRVAFAGLKFQDVGSFDYGRNYGVVYDV
TSWTDVLPEFGGDTYDSDNFMQQRGNGFATYRNTDFFGLVDGLDFAVQYQ
GKNGSAHGEGMTTNGRDDVFEQNGDGVGGSITYNYEGFGIGAAVSSSKRT
WDQNNTGLIGTGDRAETYTGGLKYDANNIYLAAQYTQTYNATRVGSLGWA
NKAQNFEAVAQYQFDFGLRPSLAYLQSKGKNLGRGYDDEDILKYVDVGAT
YYFNKNMSTYVDYKINLLDDNRFTRDAGINTDDIVALGLVYQF
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 chain2xe5 Chain B Residue 1351 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xe5 Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Y262 V297
Binding residue
(residue number reindexed from 1)		Y262 V297
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:2xe5, PDBe:2xe5, PDBj:2xe5
PDBsum2xe5
PubMed22053181
UniProtQ9K597

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