Ligand · AA1
AA1 · [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid
AA1, [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid (C8 H14 N2 O5, 218.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…
- Component
- AA1
- Formula
- C8 H14 N2 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
AA1 in 2 structures; the first of them:
- 2C1E · Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. · AA1 C5 · binds MET61, ARG64, SER120, HIS121, GLY122, PHE128, GLN161, ALA162 and 5 more
- 2C2K · Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. · AA1 C5 · binds MET61, ARG64, SER120, HIS121, GLY122, GLN161, ALA162, CYS163 and 5 more
Residues it binds most
ARG 2, SER 2, ALA 2, CYS 2, GLN 2, GLU 2, GLY 2, HIS 2, MET 2, VAL 2 (residue and the binding sites it lines).
Found with
- PHQ · benzyl chlorocarbonate
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