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Ligand · 0QF

0QF · N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp holin-4-ylsulfonyl)-L-phenylalaninamide

0QF, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp holin-4-ylsulfonyl)-L-phenylalaninamide (C31 H52 N4 O7 S2, 656.9 g/mol), in the MolNFT structures on GenesisL1…

Component
0QF
Formula
C31 H52 N4 O7 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

0QF in 4 structures; the first of them:

  • 1EPQ · Endothia aspartic proteinase (endothiapepsin) complexed with pd-133,450 (sot phe GLY+SCC… · 0QF E327 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 15 more
  • 1FQ6 · X-ray structure of glycol inhibitor pd-133,450 bound to saccharopepsin · 0QF A400 · binds GLN13, ILE30, ASP32, GLY34, TYR75, GLY76, THR77, THR111 and 12 more
  • 1EPQ · Endothia aspartic proteinase (endothiapepsin) complexed with pd-133, 450 (sot phe GLY+SCC… · 0QF E327 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 15 more
  • 1FQ6 · X-ray structure of glycol inhibitor pd-133,450 bound to saccharopepsin · 0QF A400 · binds GLN13, ILE30, ASP32, GLY34, TYR75, GLY76, THR77, THR111 and 12 more

Residues it binds most

ASP 4, ILE 4, GLY 4, THR 4, PHE 4, TYR 4, LEU 4, SER 4, ALA 2, GLN 2 (residue and the binding sites it lines).

Found with

  • GUP · alpha-L-gulopyranose
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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