Structure of PDB 5azp Chain A Binding Site BS01

Receptor Information

>5azp Chain A (length=446) Species: 208964 (Pseudomonas aeruginosa PAO1)

CTVGPDYRTPDTAAAKIDATASKPYDRSRFESLWWKQFDDPTLNQLVEQS
LSGNRDLRVAFARLRAARALRDDVANDRFPVVTSRASADIGKGQQPGVTE
DRVNSERYDLGLDSAWELDLFGRIRRQLESSDALSEAAEADLQQLQVSLI
AELVDAYGQLRGAQLREKIALSNLENQKESRQLTEQLRDAGVGAELDVLR
ADARLAATAASVPQLQAEAERARHRIATLLGQRPEELTVDLSPRDLPAIT
KALPIGDPGELLRRRPDIRAAERRLAASTADVGVATADLFPRVSLSGFLG
FTAGRGSQIGSSAARAWSVGPSISWAAFDLGSVRARLRGAKADADAALAS
YEQQVLLALEESANAFSDYGKRQERLVSLVRQSEASRAAAQQAAIRYREG
TTDFLVLLDAEREQLSAEDAQAQAEVELYRGIVAIYRSLGGGWQPS

Ligand information

• Ligand ID: OYA
• InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
• InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=CCCCCCCC
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCC=O
• Formula: C8 H16 O
• Name: OCTANAL;
  OCTYL ALDEHYDE
• ChEMBL: CHEMBL18407
• ZINC: ZINC000001529222
• PDB chain: 5azp Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5azp Crystal structures of OprN and OprJ, outer membrane factors of multidrug tripartite efflux pumps of Pseudomonas aeruginosa.
• Resolution: 1.69 Å
• Binding residue (original residue number in PDB): C1 L120
• Binding residue (residue number reindexed from 1): C1 L120
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015562 efflux transmembrane transporter activity
• GO:0022857 transmembrane transporter activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0009279 cell outer membrane
• GO:0016020 membrane

External links

• PDB: RCSB:5azp, PDBe:5azp, PDBj:5azp
• PDBsum: 5azp
• PubMed: 26914226
• UniProt: Q9I0Y7