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Ligand · C8E

C8E · (hydroxyethyloxy)tri(ethyloxy)octane

C8E, (hydroxyethyloxy)tri(ethyloxy)octane (C16 H34 O5, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 94 records (72 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
C8E
Formula
C16 H34 O5
Class
additive
Structures
94
PDB entries
72

Binding sites

C8E in 94 structures; the first of them:

  • 5DL5 · Crystal structure of Acinetobacter baumannii OccAB1 · C8E A501 · binds ARG26, GLY76, ASN77, GLN78, LYS82, ARG126, TYR307, MET308 and 2 more
  • 5DL7 · Crystal structure of Acinetobacter baumannii OccAB3 · C8E A505 · binds GLN261, HIS263, TYR309, TYR311, PHE313, LEU326, PHE328
  • 5DL8 · Crystal structure of Acinetobacter baumannii OccAB4 · C8E B401 · binds TYR352, PHE354, GLN356
  • 5EGF · The crystal structure of SeMet-CT · C8E A508 · binds VAL244, PRO245, PHE246, LEU300, SER386, VAL433, VAL454, LEU455 and 4 more
  • 5FOK · Crystal structure of the siderophore receptor PiuA from Pseudomonas aeruginosa · C8E A1721 · binds ASN289, ASP290, ASN291, ALA346, ASN347, PHE348
  • 5FP1 · Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii · C8E A1717 · binds ILE471, ILE481, TYR482, THR483, ILE522
  • 5FQ8 · Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron · C8E B1989 · binds PHE976

Residues it binds most

TYR 503, PHE 419, LEU 330, GLY 325, VAL 282, ALA 286, ILE 205, ASP 158, ASN 159, GLN 138 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • NA · Sodium ion
  • MG · Magnesium ion
  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • LDA · Lauryl dimethylamine-N-oxide
  • LMT · Dodecyl-beta-D-maltoside
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • PLM · Palmitic acid

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