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Ligand · TMC

TMC · 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

TMC, 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione (C12 H16 N2 O4, 252.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
TMC
Formula
C12 H16 N2 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

TMC in 2 structures; the first of them:

  • 1E2K · Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes… · TMC A500 · binds HIS58, GLU83, TRP88, ILE97, ILE100, TYR101, GLN125, MET128 and 7 more
  • 1E2L · Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes… · TMC A500 · binds HIS58, GLU83, TRP88, ILE97, ILE100, PHE101, GLN125, MET128 and 7 more

Residues it binds most

TYR 4, ALA 4, ILE 4, GLU 4, ARG 4, GLN 4, HIS 4, MET 4, TRP 4, PHE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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