GL1X · GenesisL1 explorer

Ligand · 8WE

8WE · (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E}, 5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide

8WE, (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E}, 5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide (C29 H45 N O6, 503.7 g/mol), in the MolNFT…

Component
8WE
Formula
C29 H45 N O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

8WE in 2 structures; the first of them:

  • 5NG1 · TUBULIN-MTC-zampanolide complex · 8WE B504 · binds VAL23, LEU217, HIS229, ALA233, PHE272, PRO274, LEU275, THR276 and 3 more
  • 5NG1 · Tubulin-mtc-zampanolide complex · 8WE B504 · binds VAL23, LEU217, HIS229, ALA233, PHE272, PRO274, LEU275, THR276 and 3 more

Residues it binds most

LEU 2, PRO 2, ALA 2, ARG 2, HIS 2, PHE 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 8WB · 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • ZPN · (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
  • CA · Calcium ion
  • MG · Magnesium ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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