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Ligand · THH

THH · N-[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

THH, N-[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid (C20 H25 N7 O6, 459.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (7 PDB entries). Every binding site…

Component
THH
Formula
C20 H25 N7 O6
Class
ligand
Structures
8
PDB entries
7

Binding sites

THH in 8 structures; the first of them:

  • 6SJN · Methyltransferase MtgA from Desulfitobacterium hafniense in complex with… · THH A401 · binds SER32, TYR35, ARG36, ASP75, LEU77, ASP102, ASN129, VAL152 and 11 more
  • 6SJO · Methyltransferase of the MtgA D102A mutant from Desulfitobacterium hafniense in complex… · THH A901 · binds SER32, TYR35, ARG36, ASP75, LEU77, ASN129, VAL152, LEU154 and 10 more
  • 6SJS · Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex… · THH A901 · binds SER32, TYR35, ARG36, GLY37, ASP75, LEU77, ASP102, ASN129 and 10 more
  • 6SK4 · Methyltransferase MtgA from Desulfitobacterium hafniense in complex with… · THH A901 · binds SER32, TYR35, ARG36, ASP75, LEU77, ASP102, ASN129, VAL152 and 11 more
  • 7X5O · Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly · THH A501 · binds LEU117, GLY120, GLY121, HIS122, LEU123, VAL129, SER172, ALA173 and 11 more
  • 8HIJ · The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex · THH A601 · binds GLU45, ILE48, THR49, ILE68, THR69, LEU72, GLU123, TYR126 and 11 more
  • 6SJR · Methyltransferase of the mtga N227A mutant from desulfitobacterium hafniense in complex… · THH A901 · binds ASN129, VAL152, LEU154, ASP194, GLY196, VAL197, ALA224, LEU263
  • 6SJS · Methyltransferase of the mtga N227A mutant from desulfitobacterium hafniense in complex… · THH B901 · binds ASN129, VAL152, LEU154, ASP194, GLY196, ALA224, LEU263

Residues it binds most

LEU 14, ASP 12, ASN 13, TYR 10, SER 9, VAL 15, ARG 10, GLY 12, ALA 13, PRO 10 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • NA · Sodium ion
  • PLG · N-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]

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