PDBsum entry 1gpu

Ligand/metal interactions

PDB id

1gpu


	2 instances of ligand highlighted
	THD

Ligands

THD ×2

THD 1682(A)

Metals

_CA ×2

CA 1681(A)

Ligand THD - 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)methyl]-2-(1,2-
Dihydroxyethyl)-4-Methyl-1,3-Thiazol-3-Ium-5-
Yl]ethyl trihydrogen diphosphate
[({Alpha,Beta}-Dihydroxyethyl)-Thiamin diphosphate]
Formula: C₁₄H₂₂N₄O₉P₂S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
THD 1682(A)	30	30	0	0	Complete		Chiral checks - OK

Additional Information

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

Use mouse to move/zoom
3D Viewers:

Ligand matches this enzyme's cofactor thiamine diphosphate with similarity 86.67%

LIGPLOT of interactions involving ligand THD

List of
interactions

THD 1682(A)

(also representing equivalent ligand THD 1682(B) )