GL1X · GenesisL1 explorer

Ligand · X2A

X2A · (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide

X2A, (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide (C50 H58 N6 O8, 871.0 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
X2A
Formula
C50 H58 N6 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

X2A in 2 structures; the first of them:

  • 4MPU · Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)pheny… · X2A B301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 22 more
  • 4MPU · Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-BIS[3-({4… · X2A B301 · binds TYR114, THR115, GLN117, ASP218, SER219, CYS220, GLN221, SER224 and 22 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PG4 · Tetraethylene glycol

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