Structure of PDB 1qjp Chain A Binding Site BS03

Receptor Information
>1qjp Chain A (length=137) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APKDNTWYTGAKLGWSQHENKLGAGAFGGYQVNPYVGFEMGYDWLGRMPY
AYKAQGVQLTAKLGYPITDDLDIYTRLGGMVWRADTYSNVYGKNHDTGVS
PVFAGGVEYAITPEIATRLEYQWTNGMLSLGVSYRFG
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 chain1qjp Chain A Residue 1174 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qjp High Resolution Structure of the Ompa Membrane Domain
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y48 L83 G84 Y85 I93 Y94 T95
Binding residue
(residue number reindexed from 1)		Y35 L63 G64 Y65 I73 Y74 T75
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1qjp, PDBe:1qjp, PDBj:1qjp
PDBsum1qjp
PubMed10764596
UniProtP0A910|OMPA_ECOLI Outer membrane protein A (Gene Name=ompA)

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