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Ligand · T3Y

T3Y · 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9, 13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12, 15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid

T3Y, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9, 13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12, 15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid (C28 H24 O16 S4, 744.7 g/mol), in the MolNFT structures on GenesisL1…

Component
T3Y
Formula
C28 H24 O16 S4
Class
ligand
Structures
4
PDB entries
2

Binding sites

T3Y in 4 structures; the first of them:

  • 6GL5 · Crystal Structure of dimethylated RSL - sulfonatocalix[4]arene complex · T3Y A101 · binds SNM1, SER2, ASN23, ASP46
  • 6HA4 · Crystal structure of PAF - p-sulfonatocalix[4]arene complex · T3Y A202 · binds LYS27, PRO29, LYS30, PHE31, ASP32, LYS35
  • 6GL5 · Crystal structure of dimethylated rsl - SULFONATOCALIX[4]ARENE complex · T3Y A101 · binds SNM1, SER2, ASN23, ASP46
  • 6HA4 · Crystal structure of paf - P-SULFONATOCALIX[4]ARENE complex · T3Y A202 · binds LYS27, PRO29, LYS30, PHE31, ASP32, LYS35

Residues it binds most

SER 8, TRP 6, ASP 8, THR 8, ASN 4, GLY 6, LYS 2, SNM 6, ARG 4, ALA 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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