Structure of PDB 3dwo Chain X Binding Site BS03

Receptor Information

>3dwo Chain X (length=444) Species: 287 (Pseudomonas aeruginosa)

AGFMVPTTNTAGWGRAMAGGSLFPNDPSAAFNNPAAMAFIDKRIAQLTVN
YADIDIKYNGDAYDYQGNPMTGGYQDGPGTPELGTNDGGQAGFGAWLPTG
FLVVPINDRFAFGLSQVVPMGMRSTWDPNWKGRDFAVDTKIETIGLTGSL
SFKVNDNFSLGAGVIIQRTSGFVSQNLDLYASAANSPGMGGIPFPASNSS
ALMRVKVDNTSPGFFAGAVWKPTDRDTLGFAYHAKIRNKLKGHYNLYDHD
GGLTEGAIEGGTPGLAYPGLDLRMGASASARLDIPAYASLDWVHQFNDRL
SLGASATWTEWSSFQDLTLKSHGNTIVSIPYTYRNTWTLAVGGDYKVTDQ
WTMRAGVAYDQTPTHNATRDPRIPDGDRYFASLGAGYRFQSMPELSIDAA
YSRQFVKEVPLKTVNQDRLGGGRLDGRATSKGQVFSLSATYDFH

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: 3dwo Chain X Residue 455

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3dwo Transmembrane passage of hydrophobic compounds through a protein channel wall.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): I54 L97 G121 I373 P374 D375 R378 Q404
• Binding residue (residue number reindexed from 1): I54 L97 G121 I373 P374 D375 R378 Q404
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015483 long-chain fatty acid transporting porin activity

Biological Process

• GO:0015909 long-chain fatty acid transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3dwo, PDBe:3dwo, PDBj:3dwo
• PDBsum: 3dwo
• PubMed: 19182779
• UniProt: Q9HVJ6