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Ligand · XJ7

XJ7 · (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2r,3s,4s,5r, 6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate

XJ7, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2r,3s,4s,5r, 6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate (C26 H49 O13 P, 600.6 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (12 PDB…

Component
XJ7
Formula
C26 H49 O13 P
Class
ligand
Structures
16
PDB entries
12

Binding sites

XJ7 in 16 structures; the first of them:

  • 7L2S · cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-bound state · XJ7 D801 · binds ARG409, ASP509, TYR511, SER512, LEU515, TYR554, ARG557, GLU570 and 2 more
  • 7L2T · cryo-EM structure of DkTx-bound minimal TRPV1 in partial open state · XJ7 A801 · binds ARG409, ASP509, SER510, TYR511, SER512, LEU515, MET547, THR550 and 11 more
  • 7MZ9 · Cryo-EM structure of minimal TRPV1 with 1 partially bound RTX · XJ7 D801 · binds ARG409, ASP509, TYR511, SER512, LEU515, THR550, LEU553, TYR554 and 7 more
  • 7MZA · Cryo-EM structure of minimal TRPV1 with 2 bound RTX in adjacent pockets · XJ7 A801 · binds ARG409, ASP509, SER510, TYR511, SER512, GLU513, LEU515, MET547 and 7 more
  • 7L2H · Cryo-EM structure of unliganded full-length TRPV1 at neutral pH · XJ7 A901 · binds ARG409, ASP509, SER510, TYR511, SER512, LEU515, PHE543, MET547 and 8 more
  • 7L2J · Cryo-EM structure of full-length TRPV1 at PH6C state · XJ7 A901 · binds ASP509, SER510, TYR511, SER512, GLU513, LEU515, PHE543, THR550 and 8 more
  • 7L2P · Cryo-EM structure of unliganded minimal TRPV1 · XJ7 A801 · binds ARG409, HIS410, ASP509, SER510, TYR511, SER512, LEU515, THR550 and 10 more
  • 7L2R · Cryo-EM structure of dktx-bound minimal TRPV1 at the pre-open state · XJ7 A801 · binds ARG409, ASP509, TYR511, SER512, LEU515, THR550, ARG557, GLU570 and 2 more
  • 7L2S · Cryo-EM structure of dktx-bound minimal TRPV1 at the pre-bound state · XJ7 D801 · binds ARG409, ASP509, TYR511, SER512, LEU515, TYR554, ARG557, GLU570 and 2 more
  • 7L2T · Cryo-EM structure of dktx-bound minimal TRPV1 in partial open state · XJ7 A801 · binds ARG409, ASP509, SER510, TYR511, SER512, LEU515, MET547, THR550 and 6 more
  • 7L2U · Cryo-EM structure of dktx-bound minimal TRPV1 in open state · XJ7 A801 · binds ARG409, VAL508, ASP509, SER510, TYR511, SER512, LEU515, THR550 and 6 more

Residues it binds most

LEU 53, ARG 53, TYR 53, SER 53, ILE 45, GLU 53, ASP 53, GLN 53, THR 48, LYS 25 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • 6EU · resiniferatoxin
  • 6IY · (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate
  • 65I · (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate
  • XJD · (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate
  • XKP · (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate

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