Structure of PDB 2qtk Chain A Binding Site BS04

Receptor Information

>2qtk Chain A (length=371) Species: 208964 (Pseudomonas aeruginosa PAO1)

GFLEDAKTDLVLRNYYFNRDFKSLVDEWAQGFILKFSSGYTPGTVGVGLD
AIGLFGVKLNNSELLPLHAADNYGRVGVAAKLRVSASELKIGEMLPDIPL
LRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSADMQDLSAW
SAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYANLLHKQRV
GDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTFYLGLQKV
GGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFVGLGWPGL
IGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNVRLNHASN
RRSFNSDFDQTRLVVSYPLSW

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: 2qtk Chain A Residue 395

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qtk Crystal Structure of the Outer Membrane Protein OpdK from Pseudomonas aeruginosa.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): F135 V137
• Binding residue (residue number reindexed from 1): F116 V118
• 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:2qtk, PDBe:2qtk, PDBj:2qtk
• PDBsum: 2qtk
• PubMed: 18611376
• UniProt: Q9HUR5