Structure of PDB 5o9c Chain A Binding Site BS01

Receptor Information

>5o9c Chain A (length=348) Species: 548 (Klebsiella aerogenes)

DGNKLDLYGKIDGLHYFSSDDSVDGDQTYMRIGVKGETQINDQLTGYGQW
EYNVQANNTESSSDQAWTRLAFAGLKFGDAGSFDYGRNYGVVYDVTSWTD
VLPEFGGDTYGSDNFLQSRANGVATYRNSDFFGLVDGLNFALQYQGKNGS
VSGEDQTNNGRDFQKQNGEGFGTSVTYDIWDGISAGFAYSSSKRTDEQNN
STFVSKTDGGRYGVLGEGDHAETYTGGLKYDANNIYLATQYTQTYNATRT
GNIGFANKAQNFEVVAQYQFDFGLRPSVAYLQSKGKDMGRYGDQDILKYV
DLGATYYFNKNMSTYVDYKINLLDDNKFTKDASISTDNVVALGLVYQF

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: 5o9c Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5o9c Crystal structure of Omp36 from Enterobacter aerogenes
• Resolution: 2.469 Å
• Binding residue (original residue number in PDB): D119 N120 F121 A126 Q151 Q170 K171 Q172 N173 F261
• Binding residue (residue number reindexed from 1): D113 N114 F115 A120 Q145 Q164 K165 Q166 N167 F255
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0006811 monoatomic ion transport
• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0009279 cell outer membrane
• GO:0016020 membrane
• GO:0046930 pore complex

External links

• PDB: RCSB:5o9c, PDBe:5o9c, PDBj:5o9c
• PDBsum: 5o9c
• UniProt: Q9ALY0