Structure of PDB 1qj8 Chain A Binding Site BS01

Receptor Information
>1qj8 Chain A (length=148) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSTVTGGYAQSDAQGQMNKMGGFNLKYRYEEDNSPLGVIGSFTYTEKSR
TASSGDYNKNQYYGITAGPAYRINDWASIYGVVGVGYGKFQTTEYPTYKN
DTSDYGFSYGAGLQFNPMENVALDFSYEQSRIRSVDVGTWIAGVGYRF
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 chain1qj8 Chain A Residue 153 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qj8 The Structure of the Outer Membrane Protein Ompx from Escherichia Coli Reveals Mechanisms of Virulence
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L37 Y71 Y80
Binding residue
(residue number reindexed from 1)		L37 Y71 Y80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Cellular Component
GO:0009279 cell outer membrane
GO:0044384 host outer membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1qj8, PDBe:1qj8, PDBj:1qj8
PDBsum1qj8
PubMed10545325
UniProtP0A917|OMPX_ECOLI Outer membrane protein X (Gene Name=ompX)

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