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Ligand · 3CM

3CM · 3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

3CM, 3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside (C21 H38 O11, 466.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
3CM
Formula
C21 H38 O11
Class
sugar
Structures
6
PDB entries
3

Binding sites

3CM in 6 structures; the first of them:

  • 2HZA · Nickel-bound full-length Escherichia coli NikR · 3CM B201 · binds LEU19, SER20, ARG23, TYR25, ALA31, ASP34, ILE35, SER38 and 4 more
  • 3OD2 · E. coli NikR soaked with excess nickel ions · 3CM B134 · binds LEU19, SER20, ARG23, TYR25, ALA31, ASP34, ILE35, SER38 and 6 more
  • 4FTW · Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution · 3CM A302 · binds TYR75, ASP81, ILE119, LEU122, PHE164, VAL218, HIS248, GLY249 and 1 more
  • 2HZA · Nickel-bound full-length escherichia COLI nikr · 3CM B201 · binds LEU19, SER20, ARG23, TYR25, ALA31, ASP34, ILE35, SER38 and 4 more
  • 3OD2 · E. COLI nikr soaked with excess nickel ions · 3CM B134 · binds LEU19, SER20, ARG23, TYR25, ALA31, ASP34, ILE35, SER38 and 6 more
  • 4FTW · Crystal structure of a carboxyl esterase N110C/L145H at 2.3 ångström resolution · 3CM A302 · binds TYR75, ASP81, ILE119, LEU122, PHE164, VAL218, HIS248, GLY249 and 1 more

Residues it binds most

LEU 6, ILE 6, SER 4, ASP 6, GLY 6, HIS 6, TYR 6, ALA 4, ARG 4, GLU 4 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion
  • PIN · Piperazine-N,N'-bis(2-ethanesulfonic acid)
  • NA · Sodium ion
  • CL · Chloride ion

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