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Ligand · THM

THM · Thymidine

THM, Thymidine (C10 H14 N2 O5, 242.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
THM
Formula
C10 H14 N2 O5
Class
ligand
Structures
7
PDB entries
6

Binding sites

THM in 7 structures; the first of them:

  • 5BSZ · X-ray structure of the sugar N-methyltransferase KedS8 from Streptoalloteichus sp ATCC… · THM A306 · binds TRP147, TRP148, THR152, PHE153, LEU154, HIS157, SER176, HIS185 and 1 more
  • 5FUV · catalytic domain of Thymidine kinase from Trypanosoma brucei with dThd · THM A1388 · binds MET214, GLU286, GLN288, PHE289, LEU312, ALA314, ASP315, TYR316 and 9 more
  • 5FUW · catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd · THM B1386 · binds MET214, GLU286, GLN288, PHE289, LEU312, ASP315, TYR316, THR352 and 7 more
  • 5IDT · Crystal Structure of a Glucose-1-phosphate Thymidylyltransferase from Burkholderia… · THM A301 · binds LEU9, ALA10, GLY11, GLY12, SER13, LYS26, GLN27, GLN83 and 7 more
  • 6K8P · Structural and catalytic analysis of two diverse uridine phosphorylases in the oomycete… · THM A402 · binds MET80, THR107, CYS108, GLY109, PHE202, GLN206, ARG208, VAL234 and 8 more
  • 6K8P · Structural and catalytic analysis of two diverse uridine phosphorylases in the oomycete… · THM A402 · binds MET80, THR107, CYS108, GLY109, PHE202, GLN206, ARG208, VAL234 and 8 more
  • 6YAG · Crystal structure of pnra from S. pneumoniae in complex with thymidine · THM C502 · binds ASP28, THR29, GLY30, ASP34, PHE37, ASN38, PHE90, ASP112 and 8 more

Residues it binds most

PHE 12, ASP 9, GLY 13, ARG 8, VAL 11, LEU 6, GLU 8, ALA 11, GLN 9, MET 7 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • R1P · 1-O-phosphono-alpha-D-ribofuranose
  • TDR · Thymine
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • QBT · [(2R,3S,5R)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
  • SAH · S-adenosyl-L-homocysteine
  • NI · Nickel (II) ion
  • ACT · Acetate ion
  • GOL · Glycerol

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