Structure of PDB 3szd Chain A Binding Site BS01

Receptor Information

>3szd Chain A (length=368) Species: 287 (Pseudomonas aeruginosa)

GQGFLEDAKASLTARNFHLHRNFVGGKAEEWTQSFILDARSGFTQGSVGF
GLDVLGLYSLKLDGGADDFGRLAVAGKLRVSNSELKIGEWMPVLPILRSD
DGRSLPQTFRGGQLSANEIAGLTLYAGQFRGNSPRNDASMQDMSLFGRPA
ATSDRFDFAGGEYRFNGERSLLGLWNAELKDIYRQQYLQLQHSQPLGDWL
LGANLGGFRGRDAGSARAGKLDNRTVSALFSARYGLHTLYLGLQKVSGDD
GWMRVNGTSGGTLANDSYNASYDNPGERSWQLRYDFDFVGLGLPGLTFMT
RYLHGDHVRLAGVTDDGSEWGRESELGYTLQSGAFKRLNVRWRNSSQRRD
WGRFDENRLIVSYPLSLL

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: 3szd Chain A Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3szd Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
• Resolution: 2.311 Å
• Binding residue (original residue number in PDB): H263 F312 F324
• Binding residue (residue number reindexed from 1): H237 F286 F298
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3szd, PDBe:3szd, PDBj:3szd
• PDBsum: 3szd
• PubMed: 22272184
• UniProt: Q9I6P8