Ligand · 3VI
3VI · 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}
3VI, 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium} (C13 H14 N4 O2 +2, 258.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…
- Component
- 3VI
- Formula
- C13 H14 N4 O2 +2
- Class
- ligand
- Structures
- 4
- PDB entries
- 3
Binding sites
3VI in 4 structures; the first of them:
- 7RB7 · Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime · 3VI A602 · binds TYR72, TYR124, TRP286, TYR341
- 8DT4 · X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime… · 3VI A602 · binds TYR72, TYR124, TRP286, SER293, PHE297, PHE338, TYR341, THR75
- 8DT7 · X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) · 3VI A601 · binds TYR72, ASP74, TYR124, TRP286, HIS287, PHE297, TYR337, PHE338 and 2 more
- 7RB7 · Room temperature structure of hache in complex with substrate analog 4K-tma and MMB4 oxime · 3VI A602 · binds TYR72, TYR124, TRP286, TYR341
Residues it binds most
TYR 8, PHE 6, TRP 8, ASP 2, SER 2, GLN 1, HIS 1, LEU 1, THR 1 (residue and the binding sites it lines).
Found with
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