Ligand · I2E
I2E · 3-(1,3-benzodioxol-5-yl)propanoic acid
I2E, 3-(1,3-benzodioxol-5-yl)propanoic acid (C10 H10 O4, 194.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…
- Component
- I2E
- Formula
- C10 H10 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
I2E in 4 structures; the first of them:
- 4AHR · Parallel screening of a low molecular weight compound library: do differences in… · I2E A1218 · binds ALA105, GLY106, ARG107, TRP108, PRO109, LYS111, ILE204, ILE208 and 7 more
- 4EF6 · Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with… · I2E A404 · binds HIS44, GLY46, HIS47, LEU50, GLY158, LYS160, ASP161, VAL184 and 6 more
- 4AHR · Parallel screening of a low molecular weight compound library: do differences in… · I2E A1218 · binds ALA105, GLY106, ARG107, TRP108, PRO109, LYS111, ILE204, ILE208 and 7 more
- 4EF6 · Crystal structure of mycobacterium tuberculosis pantothenate synthetase in complex with… · I2E A404 · binds HIS44, GLY46, HIS47, LEU50, GLY158, LYS160, ASP161, VAL184 and 6 more
Residues it binds most
GLY 8, HIS 8, SER 8, VAL 8, ILE 4, PRO 8, ALA 6, ASP 6, LYS 6, ARG 4 (residue and the binding sites it lines).
Found with
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