Structure of PDB 4rlc Chain A Binding Site BS03

Receptor Information
>4rlc Chain A (length=135) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGQNSVEIEAFGKRYFADLYGGSIGYFLTDDVELALSYGEYHDVVHGNLT
SLDAIYHFGTPGVGLRPYVSAGLAHQNITNINSDSQGRQQMTMANIGAGL
KYYFTENFFAKASLDGQYGLEKGEWMAGLGVGFNF
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 chain4rlc Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rlc Small-Molecule Transport by CarO, an Abundant Eight-Stranded beta-Barrel Outer Membrane Protein from Acinetobacter baumannii.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T69 T111
Binding residue
(residue number reindexed from 1)		T50 T92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4rlc, PDBe:4rlc, PDBj:4rlc
PDBsum4rlc
PubMed25846137
UniProtP13794|PORF_PSEAE Outer membrane porin F (Gene Name=oprF)

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