12D · 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)

Binding sites

12D in 4 structures; the first of them:

• 3AR6 · Calcium pump crystal structure with bound TNP-ADP and TG in the absence of calcium · 12D A1002 · binds THR353, GLU439, PHE487, ARG489, LYS492, MET494, LYS515, GLY516 and 6 more
• 3B5J · Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP · 12D A708 · binds TYR477, PRO482, ILE484, ARG503, ALA504, GLY505, SER506, GLY507 and 6 more
• 3AR6 · Calcium pump crystal structure with bound tnp-ADP and tg in the absence of calcium · 12D A1002 · binds THR353, GLU439, PHE487, ARG489, LYS492, MET494, LYS515, GLY516 and 6 more
• 3B5J · Crystal structures of the S504A mutant of an isolated ABC-ATPase in complex with tnp-ADP · 12D A708 · binds TYR477, PRO482, ILE484, ARG503, ALA504, GLY505, SER506, GLY507 and 6 more

Residues it binds most

ARG 4, GLY 4, LYS 4, THR 4, ALA 4, GLU 4, SER 2, TYR 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

• 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
• MG · Magnesium ion
• NA · Sodium ion
• ACE · Acetyl group