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Ligand · GKS

GKS · 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol

GKS, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol (C11 H19 N4 O14 P3, 524.2 g/mol), in the MolNFT structures on…

Component
GKS
Formula
C11 H19 N4 O14 P3
Class
ligand
Structures
8
PDB entries
4

Binding sites

GKS in 8 structures; the first of them:

  • 6DIA · DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP… · GKS A401 · binds ARG149, GLY179, SER180, ARG183, SER188, GLY189, ASP190, ASP192 and 11 more
  • 6DIC · D276G DNA polymerase beta substrate complex with templating cytosine and incoming… · GKS A403 · binds DC6, DG7, DC10, ARG40, ARG149, GLY179, SER180, ARG183 and 13 more
  • 6MR7 · DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP… · GKS A401 · binds ARG149, GLY179, SER180, ARG183, SER188, GLY189, ASP190, ASP192 and 11 more
  • 6MR8 · D276G DNA polymerase beta substrate complex with templating adenine and incoming… · GKS A401 · binds ARG149, GLY179, SER180, ARG183, SER187, SER188, GLY189, ASP190 and 11 more
  • 6DIA · DNA polymerase beta substrate complex with templating cytosine and incoming fapy-dgtp… · GKS A401 · binds ARG149, GLY179, SER180, ARG183, SER188, GLY189, ASP190, ASP192 and 11 more
  • 6DIC · D276G DNA polymerase beta substrate complex with templating cytosine and incoming… · GKS A403 · binds DC6, DG7, DC10, ARG40, GLY179, SER180, ARG183, SER188 and 11 more
  • 6MR7 · DNA polymerase beta substrate complex with templating adenine and incoming fapy-dgtp… · GKS A401 · binds GLY179, SER180, ARG183, SER188, GLY189, ASP190, ASP192, ARG258 and 9 more
  • 6MR8 · D276G DNA polymerase beta substrate complex with templating adenine and incoming… · GKS A401 · binds ARG149, GLY179, SER180, ARG183, SER188, GLY189, ASP192, ARG258 and 9 more

Residues it binds most

GLY 8, SER 8, ARG 8, ASP 8, DC 8, ASN 8, DG 8, PHE 8, TYR 8, DA 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • CL · Chloride ion

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