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Ligand · NAT

NAT · Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

NAT, Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (C14 H16 N2 O3 S, 292.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
NAT
Formula
C14 H16 N2 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

NAT in 4 structures; the first of them:

  • 1Q0B · Crystal structure of the motor protein KSP in complex with ADP and monastrol · NAT A604 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 6 more
  • 1X88 · Human Eg5 motor domain bound to Mg-ADP and monastrol · NAT A801 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 6 more
  • 1Q0B · Crystal structure of the motor protein ksp in complex with ADP and monastrol · NAT A604 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 6 more
  • 1X88 · Human EG5 motor domain bound to mg-ADP and monastrol · NAT A801 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 6 more

Residues it binds most

GLU 8, ALA 8, LEU 8, ARG 8, ASP 8, GLY 8, ILE 8, PRO 8, TRP 8, TYR 8 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion

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