Ligand · 42X
42X · N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
42X, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide (C14 H28 N3 O8 P, 397.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site…
- Component
- 42X
- Formula
- C14 H28 N3 O8 P
- Class
- ligand
- Structures
- 4
- PDB entries
- 3
Binding sites
42X in 4 structures; the first of them:
- 4XS9 · Determining the Molecular Basis for Starter Unit Selection During Daunorubicin… · 42X A401 · binds LEU86, VAL117, SER118, ASP160, TYR165, MET197, HIS198, LEU217 and 11 more
- 8CG5 · The ACP crosslinked to the KS of the cercosporin fungal non-reducing polyketide synthase… · 42X C2000 · binds CYS553, LEU592, GLY595, HIS596, PHE597, TYR614, THR657, ARG658 and 10 more
- 8CG6 · The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase… · 42X C2000 · binds ASP14, GLN15, THR16, GLN85, CYS119, VAL213, GLN217, SER219 and 11 more
- 4XS9 · Determining the molecular basis for starter unit selection during daunorubicin… · 42X A401 · binds LEU86, VAL117, SER118, ASP160, TYR165, MET197, HIS198, LEU217 and 11 more
Residues it binds most
LEU 6, VAL 5, SER 6, HIS 6, MET 4, ASP 5, PHE 6, TYR 6, ALA 5, ARG 5 (residue and the binding sites it lines).
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