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Ligand · 2A4

2A4 · (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide

2A4, (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide (C48 H58 N6 O8, 847.0 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
2A4
Formula
C48 H58 N6 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

2A4 in 2 structures; the first of them:

  • 4MPV · Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)pheny… · 2A4 A301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 21 more
  • 4MPV · Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-BIS[3-({4… · 2A4 A301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 21 more

Residues it binds most

GLY 2, SER 2, GLN 2, CYS 2, ASP 2, GLU 2, THR 2, TRP 2, VAL 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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