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Ligand · TM1

TM1 · 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)

TM1, 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) (C16 H15 N8 O13 P, 558.3 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its…

Component
TM1
Formula
C16 H15 N8 O13 P
Class
ligand
Structures
10
PDB entries
5

Binding sites

TM1 in 10 structures; the first of them:

  • 3AR5 · Calcium pump crystal structure with bound TNP-AMP and TG · TM1 A1002 · binds THR353, GLU439, THR441, GLU442, PHE487, ARG489, LYS492, LYS515 and 8 more
  • 3AR8 · Calcium pump crystal structure with bound AlF4, TNP-AMP and TG · TM1 A1002 · binds ARG174, SER186, ILE188, LYS205, PHE487, ARG489, LYS492, MET494 and 5 more
  • 3AR9 · Calcium pump crystal structure with bound BeF3, TNP-AMP and TG in the absence of calcium · TM1 A1002 · binds ARG174, VAL185, SER186, ILE188, GLU439, THR441, GLU442, PHE487 and 11 more
  • 3W5A · Crystal structure of the calcium pump and sarcolipin from rabbit fast twitch skeletal… · TM1 A1001 · binds THR353, PHE487, ARG489, LYS492, SER493, MET494, LYS515, GLY516 and 8 more
  • 3W5B · Crystal structure of the recombinant SERCA1a (calcium pump of fast twitch skeletal… · TM1 A1004 · binds THR353, GLU442, PHE487, ARG489, LYS492, SER493, MET494, LYS515 and 9 more
  • 3AR5 · Calcium pump crystal structure with bound tnp-AMP and tg · TM1 A1002 · binds THR353, GLU439, THR441, GLU442, PHE487, ARG489, LYS492, LYS515 and 8 more
  • 3AR8 · Calcium pump crystal structure with bound ALF4, tnp-AMP and tg · TM1 A1002 · binds ARG174, SER186, ILE188, LYS205, PHE487, ARG489, LYS492, MET494 and 5 more
  • 3AR9 · Calcium pump crystal structure with bound BEF3, tnp-AMP and tg in the absence of calcium · TM1 A1002 · binds ARG174, VAL185, SER186, ILE188, GLU439, THR441, GLU442, PHE487 and 11 more
  • 3W5A · Crystal structure of the calcium pump and sarcolipin from rabbit fast twitch skeletal… · TM1 A1001 · binds THR353, PHE487, ARG489, LYS492, SER493, MET494, LYS515, GLY516 and 8 more
  • 3W5B · Crystal structure of the recombinant SERCA1A (calcium pump of fast twitch skeletal… · TM1 A1004 · binds THR353, GLU442, PHE487, ARG489, LYS492, SER493, MET494, LYS515 and 9 more

Residues it binds most

ARG 12, LYS 12, GLY 12, THR 10, GLU 10, LEU 12, PHE 12, SER 10, MET 10, ALA 8 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • MG · Magnesium ion
  • PTY · Phosphatidylethanolamine
  • 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
  • ACE · Acetyl group
  • ALF · Tetrafluoroaluminate ion
  • BEF · Beryllium trifluoride ion

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