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Ligand · RBR

RBR · rocuronium

RBR, rocuronium (C32 H53 N2 O4 +1, 529.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
RBR
Formula
C32 H53 N2 O4 +1
Class
ligand
Structures
4
PDB entries
4

Binding sites

RBR in 4 structures; the first of them:

  • 8ESK · Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with rocuronium… · RBR A501 · binds TYR93, TRP149, THR150, TYR190, CYS192, CYS193, TYR198, TRP57 and 3 more
  • 8F2S · Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with rocuronium… · RBR A501 · binds TYR93, TRP149, THR150, TYR190, CYS192, CYS193, TYR198, TRP57 and 3 more
  • 8S4H · Crystal structure of scFv-1B6 in complex with rocuronium bromide · RBR A201 · binds TRP33, TYR52, SER54, TYR56, TRP99, SER100, TYR100A, TYR100B and 7 more
  • 8S4K · Crystal structure of Fab-2B1 in complex with rocuronium · RBR L301 · binds GLU50, TYR52, SER54, TYR56, GLY96, VAL97, ASN98, HIS100C and 7 more

Residues it binds most

TYR 8, LEU 9, TRP 7, SER 5, CYS 4, VAL 5, THR 5, GLU 4, ALA 1, ARG 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DD9 · nonane
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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