Ligand · TO1

TO1 · 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

TO1, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C12 H13 N5 O4, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every binding site with its residues within 4.5 Å…

Component: TO1
Formula: C12 H13 N5 O4
Class: ligand
Structures: 6
PDB entries: 5

Binding sites

TO1 in 6 structures; the first of them:

3RE4 · Crystal Structure of Archaeoglobus Fulgidus Rio1 Kinase bound to Toyocamycin. · TO1 A259 · binds ILE55, SER56, VAL63, ALA78, LYS80, PRO135, MET147, GLU148 and 8 more
8D1S · Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin · TO1 A501 · binds TYR39, GLY223, GLY224, GLY252, GLU253, GLU290, LYS293, ARG294 and 6 more
8OV4 · SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin · TO1 A7220 · binds GLY6869, GLY6871, ASP6897, LEU6898, ASN6899, GLY6911, ASP6912, CYS6913 and 5 more
8S8X · SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA… · TO1 A7202 · binds GLY6869, GLY6871, SER6872, ASP6897, LEU6898, ASN6899, GLY6911, ASP6912 and 6 more
9EMJ · SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA… · TO1 A7101 · binds GLY6869, GLY6871, ASP6897, LEU6898, ASN6899, GLY6911, ASP6912, CYS6913 and 5 more
3RE4 · Crystal structure of archaeoglobus fulgidus RIO1 kinase bound to toyocamycin. · TO1 A259 · binds ILE55, SER56, VAL63, ALA78, LYS80, PRO135, MET147, GLU148 and 8 more

Residues it binds most

ASP 8, GLY 4, ILE 5, MET 7, GLU 5, PRO 4, PHE 7, SER 6, ALA 4, THR 4 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
GTA · P1-7-methylguanosine-P3-adenosine-5',5'-triphosphate
EDO · 1,2-ethanediol
MES · 2-(N-morpholino)-ethanesulfonic acid
MGP · 7-methyl-guanosine-5'-triphosphate
MG · Magnesium ion
SO4 · Sulfate ion

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