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Ligand · DG3

DG3 · 2'-3'-dideoxyguanosine-5'-triphosphate

DG3, 2'-3'-dideoxyguanosine-5'-triphosphate (C10 H16 N5 O12 P3, 491.2 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
DG3
Formula
C10 H16 N5 O12 P3
Class
ligand
Structures
9
PDB entries
8

Binding sites

DG3 in 9 structures; the first of them:

  • 4X0Q · Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite… · DG3 A2604 · binds ARG2254, ASP2330, TYR2331, GLN2333, ASP2357, PHE2359, ARG2379, GLN2380 and 9 more
  • 6UU7 · E. coli sigma-S transcription initiation complex with a 6-nt RNA and an NTP ("Old"… · DG3 DDD1505 · binds ARG678, ARG1106, ARG425, PRO427, ASN458, ASP460, ARG731, THR786 and 9 more
  • 6XBU · polymerase domain of polymerase-theta · DG3 A2601 · binds ASP2330, GLU2335, LYS2383, TYR2387, TYR2391, ASN2470, GLN2474, ASP2540 and 3 more
  • 7ZUS · Crystal structure of ternary complex of Pol theta polymerase domain · DG3 AAA2602 · binds ARG2241, TYR2331, GLN2333, GLU2335, PHE2359, ARG2379, LYS2383, GLN2384 and 7 more
  • 7ZX0 · Crystal structure of Pol theta polymerase domain in complex with compound 5 · DG3 AAA2602 · binds ARG2241, ASP2330, TYR2331, GLN2333, GLU2335, PHE2359, ARG2379, LYS2383 and 8 more
  • 7ZX1 · Crystal structure of Pol theta polymerase domain in complex with compound 22 · DG3 AAA2602 · binds ARG2241, ASP2330, TYR2331, GLN2333, GLU2335, PHE2359, ARG2379, LYS2383 and 8 more
  • 8E24 · Human DNA polymerase theta in complex with allosteric inhibitor · DG3 A2601 · binds ARG2241, ASP2330, TYR2331, GLN2333, GLU2335, PHE2359, ARG2379, LYS2383 and 8 more
  • 8GD7 · Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA… · DG3 A2602 · binds ARG2241, ASP2330, GLN2333, GLU2335, PHE2359, ARG2379, GLN2380, LYS2383 and 8 more
  • 6XBU · Polymerase domain of polymerase-theta · DG3 A2601 · binds ASP2330, GLU2335, LYS2383, TYR2387, TYR2391, ASN2470, GLN2474, DG13 and 2 more

Residues it binds most

TYR 22, GLN 23, ARG 21, ASP 23, DC 21, LYS 22, GLU 21, ASN 20, PHE 20, DDG 16 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • K7X · 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide
  • K8I · (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide
  • UA6 · 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
  • Z5X · 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate
  • ZN · Zinc ion
  • GOL · Glycerol

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