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Ligand · C60

C60 · [[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide

C60, [[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide (C39 H63 N5 O6 S, 730.0 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
C60
Formula
C39 H63 N5 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C60 in 2 structures; the first of them:

  • 1RNE · The crystal structure of recombinant glycosylated human renin alone and in complex with a… · C60 A350 · binds THR12, GLN13, VAL30, ASP32, GLY34, SER35, LEU73, ARG74 and 23 more
  • 1RNE · The crystal structure of recombinant glycosylated human renin alone and in complex with a… · C60 A350 · binds THR12, GLN13, VAL30, ASP32, GLY34, SER35, LEU73, ARG74 and 23 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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