Structure of PDB 3rbh Chain D Binding Site BS06

Receptor Information

>3rbh Chain D (length=410) Species: 287 (Pseudomonas aeruginosa)

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:
  ACDLabs 10.04: O(CCCCCCCC)CCOCCOCCOCCO
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCCOCCOCCOCCOCCO
• Formula: C16 H34 O5
• Name: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
• DrugBank: DB04233
• ZINC: ZINC000014881140
• PDB chain: 3rbh Chain D Residue 494

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3rbh Structural basis for alginate secretion across the bacterial outer membrane.
• Resolution: 2.301 Å
• Binding residue (original residue number in PDB): A94 A95 T96
• Binding residue (residue number reindexed from 1): A55 A56 T57
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0042121 alginic acid biosynthetic process

Cellular Component

• GO:0009279 cell outer membrane

External links

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