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Ligand · 7BN

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

7BN, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[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-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)…

Component
7BN
Formula
C24 H39 N5 O14
Class
ligand
Structures
3
PDB entries
2

Binding sites

7BN in 3 structures; the first of them:

  • 5LZH · Cholera toxin classical B-pentamer in complex with inhibitor PC262 · 7BN A201 · binds GLU11, TYR12, HIS13, GLU51, GLN56, HIS57, ILE58, GLN61 and 6 more
  • 5LZG · Cholera toxin el tor B-pentamer in complex with inhibitor PC262 · 7BN A201 · binds GLU11, TYR12, HIS13, GLU51, GLN56, HIS57, ILE58, GLN61 and 6 more
  • 5LZH · Cholera toxin classical B-pentamer in complex with inhibitor PC262 · 7BN A201 · binds GLU11, TYR12, HIS13, GLU51, GLN56, HIS57, ILE58, GLN61 and 6 more

Residues it binds most

GLN 15, GLU 15, HIS 15, LYS 15, ARG 15, ASN 15, GLY 15, ILE 15, TRP 15, TYR 15 (residue and the binding sites it lines).

Found with

  • MRD · (4R)-2-methylpentane-2,4-diol
  • PEG · Di(hydroxyethyl)ether
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • CA · Calcium ion
  • IMD · Imidazole

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