PDBsum entry 1q9d

Ligand/metal interactions

PDB id

1q9d


	2 instances of ligand highlighted
	OI1

Ligands

F6P ×2

F6P 401(A)

PO4 ×4

PO4 402(A)

PO4 403(A)

OI1 ×2

OI1 416(A)

Metals

_MG ×4

MG 404(A)

MG 405(A)

Ligand OI1 - 3-(4-Hydroxybenzyl)-2-[1-({[2-(4-
Hydroxyphenyl) ethyl]amino}carbonyl)butyl]-4-Oxo-
3,6,11,11a- Tetrahydro-4h-Pyrazino[1,2-B]isoquinolin-2-Ium-
1-Olate
Formula: C₃₂H₃₅N₃O₅

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
OI1 416(A)	40	40	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 OI1

List of
interactions

OI1 416(A)

(also representing equivalent ligand OI1 406(B) )