Structure of PDB 3rbh Chain D Binding Site BS03

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 ID

C8E

InChI

InChI=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

InChIKey

FEOZZFHAVXYAMB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCOCCOCCOCCOCCO

Formula

C16 H34 O5

Name

(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE

PDB chain

3rbh Chain D Residue 493 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3rbh Structural basis for alginate secretion across the bacterial outer membrane.
Resolution	2.301 Å
Binding residue (original residue number in PDB)	Q378 W402
Binding residue (residue number reindexed from 1)	Q298 W322
Annotation score	1

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

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Cellular Component

External links

PDB	RCSB:3rbh, PDBe:3rbh, PDBj:3rbh
PDBsum	3rbh
PubMed	21778407
UniProt	P18895\|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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