PDBsum entry 2c3y

Ligand/metal interactions

PDB id

2c3y


	2 instances of ligand highlighted
	HTL

Ligands

SF4 ×6

SF4 2233(A)

SF4 2234(A)

SF4 2235(A)

HTL ×2

HTL 2236(A)

CO2 ×2

CO2 2239(A)

Metals

_MG ×2

MG 2237(A)

_CA ×2

CA 2238(A)

Ligand HTL - 2-Acetyl-Thiamine diphosphate
[2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)methyl]-4-
Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex- 1-
Yl)thiazo lium inner salt p,P'-Dioxide]
Formula: C₁₄H₂₁N₄O₈P₂S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings
HTL 2236(A)	29	Degenerate residue

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 89.66%

LIGPLOT of interactions involving ligand HTL

List of
interactions

HTL 2236(A)

(also representing equivalent ligand HTL 2236(B) )