Structure of PDB 1qjp Chain A Binding Site BS04

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 1175 [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)		Y55 V77 G99
Binding residue
(residue number reindexed from 1)		Y42 V57 G79
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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