Structure of PDB 3rbh Chain D Binding Site BS05

Receptor Information
>3rbh Chain D (length=410) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFM
GQAVAATDTIETDTLDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLRED
SGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTH
VFGDISTQWAPHHRIGVRIHHADDSGNLDKTYTGQLTWLGIEATGDAYNY
RSSMPLNYWASATWLTGDRDNLQSGDVNAFGVDLGLRWNIDEQWKAGVGY
ARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAA
TLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQEL
DLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMH
RAFVDFIWRF
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 chain3rbh Chain D Residue 9 [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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PDB3rbh Structural basis for alginate secretion across the bacterial outer membrane.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		G50 K436 F438 V484 F486
Binding residue
(residue number reindexed from 1)		G11 K356 F358 V404 F406
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042121 alginic acid biosynthetic process
Cellular Component
GO:0009279 cell outer membrane

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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3rbh, PDBe:3rbh, PDBj:3rbh
PDBsum3rbh
PubMed21778407
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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