Human TYMS ↔ Plasmodium falciparum TS domain · cavity 18 side-by-side

PDB 1HVY chain B (human, blue) · PDB 1J3I chain C res. 281–608 (Pf, magenta, super-aligned onto 1HVY · RMSD 0.74 Å). Both panes framed on the FPocket cavity-18 centre at (+4.56, −12.71, −14.88). Cavity 18 = FPocket pocket 18 on the human chain B (druggability 0.994). The Pf TS domain does NOT have an equivalent deep pocket at this location — the docked fragment falls onto a nearby Arg-rim surface (~14 Å away, weak hydrophobic contacts only).
Source data: pf_specificity_dock/ · live repo: ArioMoniri/aminak

Human TYMS — 1HVY chain A

cavity 18 = 36 contact residues · catalytic Cys195 highlighted
protein cartoon
cavity-18 residue sticks (carbons)
catalytic Cys195
docked fragment

P. falciparum TS — 1J3I chain C (residues 281–608)

super-aligned onto 1HVY (RMSD 0.74 Å) · no deep pocket at this location · docked fragment lands at the surface, ~14 Å from the box centre
protein cartoon
cavity-18-equivalent residue sticks
catalytic Cys490
docked fragment