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Ligand · 7BQ

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

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…

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

Binding sites

7BQ in 2 structures; the first of them:

  • 5LZI · Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 · 7BQ A202 · binds GLU11, TYR12, HIS13, GLU51, GLN56, HIS57, ILE58, GLN61 and 6 more
  • 5LZI · Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 · 7BQ A202 · binds GLU11, TYR12, HIS13, GLU51, GLN56, HIS57, ILE58, GLN61 and 6 more

Residues it binds most

GLN 2, GLU 2, HIS 2, LYS 2, ARG 2, ASN 2, GLY 2, ILE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • 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
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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