Structure of PDB 4lsi Chain C Binding Site BS01

Receptor Information
>4lsi Chain C (length=334) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGNKVDLYGKAVGLHYFSKGNGENSYGGNGDMTYARLGFKGETQINSDLT
GYGQWEYNFQGNNSEGADAQTGNKTRLAFAGLKYADVGSFDYGRNYGVVY
DALGYTDMLPEFGGDTAYSDDFFVGRVGGVATYRNSNFFGLVDGLNFAVQ
YLGKNERDTARRSNGDGVGGSISYEYEGFGIVGAYGAADRTNLQEAQPLG
NGKKAEQWATGLKYDANNIYLAANYGETRNATPITNKFTNTSGFANKTQD
VLLVAQYQFDFGLRPSIAYTKSKAKDVEGIGDVDLVNYFEVGATYYFNKN
MSTYVDYIINQIDSDNKLGVGSDDTVAVGIVYQF
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 chain4lsi Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lsi A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
Resolution2.089 Å
Binding residue
(original residue number in PDB)		Y98 G159
Binding residue
(residue number reindexed from 1)		Y92 G153
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001530 lipopolysaccharide binding
GO:0005216 monoatomic ion channel activity
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015288 porin activity
GO:0042802 identical protein binding
GO:0042912 colicin transmembrane transporter activity
GO:0097718 disordered domain specific binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0015031 protein transport
GO:0034220 monoatomic ion transmembrane transport
GO:0043213 bacteriocin transport
GO:0070207 protein homotrimerization
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex
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:4lsi, PDBe:4lsi, PDBj:4lsi
PDBsum4lsi
PubMed24106986
UniProtP02931|OMPF_ECOLI Outer membrane porin F (Gene Name=ompF)

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