GL1X · GenesisL1 explorer

Ligand · DL5

DL5 · Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate

DL5, Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate (C17 H19 N8 O18 P3, 716.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
DL5
Formula
C17 H19 N8 O18 P3
Class
ligand
Structures
4
PDB entries
2

Binding sites

DL5 in 4 structures; the first of them:

  • 5A3Q · Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin… · DL5 A1002 · binds ARG174, VAL185, SER186, VAL187, ILE188, LYS205, MET361, GLU439 and 15 more
  • 5A3R · Crystal structure of the (SR) Calcium ATPase E2.BeF3- complex bound to TNP-AMPPCP · DL5 A1000 · binds ARG174, SER186, ILE188, GLU439, THR441, GLU442, PHE487, LYS492 and 9 more
  • 5A3Q · Crystal structure of the (sr) calcium ATPase E2-vanadate complex bound to thapsigargin… · DL5 A1002 · binds ARG174, VAL185, SER186, VAL187, ILE188, LYS205, MET361, GLU439 and 15 more
  • 5A3R · Crystal structure of the (sr) calcium ATPase E2.BEF3- complex bound to tnp-amppcp · DL5 A1000 · binds ARG174, SER186, ILE188, GLU439, THR441, GLU442, PHE487, LYS492 and 9 more

Residues it binds most

ARG 4, LYS 4, GLU 4, MET 4, SER 4, LEU 4, THR 4, ALA 4, GLY 4, ILE 4 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • MG · Magnesium ion
  • TG1 · Octanoic acid [3S-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3, -3A,4,5,6,6A,7,8,9B-decahydro-3,3A-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester
  • VN4 · oxido(dioxo)vanadium
  • CL · Chloride ion
  • ACE · Acetyl group

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