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Ligand · 7DB

7DB · (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

7DB, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1…

Component
7DB
Formula
C32 H46 N6 O15
Class
ligand
Structures
2
PDB entries
1

Binding sites

7DB in 2 structures; the first of them:

  • 5LZI · Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 · 7DB B203 · binds GLU51, GLN56, HIS57, ILE58, GLN61, TRP88, ASN90, LYS91
  • 5LZI · Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 · 7DB B203 · binds GLU51, GLN56, HIS57, ILE58, GLN61, TRP88, ASN90, LYS91

Residues it binds most

GLN 8, GLU 8, HIS 8, LYS 8, ASN 8, TRP 8, ILE 6, ARG 4, GLY 4, SER 4 (residue and the binding sites it lines).

Found with

  • 7BQ · (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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