GL1X · GenesisL1 explorer

Ligand · KXX

KXX · (3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,22r,26as)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4, 10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19, 24,25,26,26A-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

KXX, (3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,22r,26as)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4, 10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19…

Component
KXX
Formula
C43 H69 N O12
Class
ligand
Structures
2
PDB entries
2

Binding sites

KXX in 2 structures; the first of them:

  • 7U0S · Crystal structure of FK506-binding protein 1A from aspergillus fumigatus bound to… · KXX A201 · binds TYR56, PHE66, ASP67, ARG72, PHE76, ARG84, VAL85, ILE86 and 12 more
  • 7U0T · Crystal structure of a human calcineurin a - calcineurin B fusion bound to FKBP12 and… · KXX B201 · binds TYR-48, TRP-37, SER-36, PRO-34, PHE-33, GLU-30, MET118, VAL119 and 15 more

Residues it binds most

PHE 3, TYR 3, ARG 3, ILE 3, VAL 3, GLY 2, TRP 3, ASP 3, PRO 3, GLU 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • P6G · Hexaethylene glycol
  • PG4 · Tetraethylene glycol

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