Structure of PDB 4rl8 Chain C Binding Site BS03

Receptor Information
>4rl8 Chain C (length=268) Species: 351746 (Pseudomonas putida F1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEVDPGDYEALPVGATIGVVYYQHSTTDSAYANGHKVSSDFKLTSNVGIL
RLLHVYQLTDRLTLEPQFLLPFGRVSSSGDASALGDTSGVGDLTLTAPLK
YRLNEANDILGATVYLTAPTGNYNRDDALNLGENRWKVDLQAAYVKHLGE
KWAVDLVGDAIWYSDNDDFGSSSARREQDVSYGAQLMGRYIVDPGTSLAI
GLGHTWGGENQIDGTAQDDRAETTNFRVTANKFFTAKDQLQMQLGRDLAV
ENGPKENFRLNLRYVRVF
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 chain4rl8 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4rl8 Crystal structure of a COG4313 outer membrane channel.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H54 Q67 T96
Binding residue
(residue number reindexed from 1)		H54 Q67 T96
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links