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Ligand · C63

C63 · (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate

C63, (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate (C20 H43 O5 P, 394.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
C63
Formula
C20 H43 O5 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

C63 in 2 structures; the first of them:

  • 4OUK · Crystal structure of a C6-C4 SN3 inhibited ESTERASE B from LACTOBACILLUS RHAMNOSIS · C63 X401 · binds SER14, TRP15, THR18, GLY74, GLY75, GLY76, TRP77, ASP145 and 8 more
  • 4OUK · Crystal structure of a C6-C4 SN3 inhibited esterase B from lactobacillus rhamnosis · C63 X401 · binds SER14, TRP15, THR18, GLY74, GLY75, GLY76, TRP77, ASP145 and 8 more

Residues it binds most

GLY 2, SER 2, TRP 2, ALA 2, ASP 2, HIS 2, LEU 2, PHE 2, THR 2, TYR 2 (residue and the binding sites it lines).

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