PDBsum entry 3f6b

Ligand/metal interactions

PDB id

3f6b


	Ligand highlighted
	8PA

Ligands

8PA

8PA 602(X)

Metals

_MG

MG 601(X)

Ligand 8PA - 3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-(2-{[(S)-
Hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)- 1-
Hydroxy-3-Pyridin-3-Ylprop-2-En-1-Yl]-4-Methyl-1,3-
Thiazol-3-Ium
Formula: C₂₀H₂₆N₅O₈P₂S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
8PA 602(X)	36	36	0	0	Complete		Chiral checks - OK

Additional Information

Validation carried out using MotiveValidator. Full validation report can be found in Validator^DB.

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Ligand matches this enzyme's cofactor thiamine diphosphate with similarity 72.22%

LIGPLOT of interactions involving ligand 8PA

List of
interactions

8PA 602(X)