PDBsum entry 3dv0

Ligand/metal interactions

PDB id

3dv0


	4 instances of ligand highlighted
	TPW

Ligands

TPW ×4

TPW 1370(A)

PYR ×2

PYR 502(B)

Metals

_MG ×6

__K ×4

Ligand TPW - 2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-3-
Methylthiophen-2-Yl}ethyl trihydrogen diphosphate
[3-Deaza-Thdp]
Formula: C₁₃H₁₉N₃O₇P₂S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
TPW 1370(A)	26	26	0	0	Complete		Chiral checks - OK

Advanced Analysis

Residue	Name Mismatches	Count
TPW 1370(A)	O13: O12\|O12: O13\|O22: O21\|O21: O22	4

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 44.44%

LIGPLOT of interactions involving ligand TPW

List of
interactions

TPW 1370(A)

also representing 3 other equivalent ligands:
TPW 1370(C)
TPW 1370(E)
TPW 1370(G)