Structure of PDB 3rbh Chain B Binding Site BS03

Receptor Information
>3rbh Chain B (length=429) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFM
GQAVAATDTIETDTPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLRED
SGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTH
VFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLG
IEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTRIATGKQSGDVNAFG
VDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRS
RVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIG
TSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFR
GGLFKPGDAYGPGTDSTMHRAFVDFIWRF
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 B Residue 501 [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)		F383 G384
Binding residue
(residue number reindexed from 1)		F322 G323
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042121 alginic acid biosynthetic process
Cellular Component
GO:0009279 cell outer membrane

View graph for
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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