PDBsum entry 1so2

Ligand/metal interactions

PDB id

1so2


	4 instances of ligand highlighted
	666

Ligands

HG9 ×4

HG9 453(A)

HG9 454(A)

666 ×4

666 461(A)

Metals

_MG ×9

MG 471(A)

MG 472(A)

MG 479(A)

Ligand 666 - 6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-
Yl]amino}phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)- One
[(5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-
Yl]amino}phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)- One]
Formula: C₂₄H₂₄IN₃O₂

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
666 461(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.

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LIGPLOT of interactions involving ligand 666

List of
interactions

666 461(A)

also representing 3 other equivalent ligands:
666 462(B)
666 463(C)
666 464(D)