PDBsum entry 5oqw

Ligand/metal interactions

PDB id

5oqw


	2 instances of ligand highlighted
	A4E

Ligands

A4E ×2

A4E 403(A)

Metals

_ZN ×2

ZN 401(A)

_NA

NA 402(A)

Ligand A4E - 1-[6-[(4-Fluorophenyl)methyl]-5-(Hydroxymethyl)-3,3-
Dimethyl-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-
[(2~{r}, 5~{r})-5-Methyl-2-[[(3~{r})-3-Methylmorpholin-4-
Yl]methyl]piperazin-4-Ium-1-Yl]ethanone
Formula: C₃₀H₄₃FN₅O₃

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
A4E 403(A)	39	39	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 A4E

List of
interactions

A4E 403(A)

(also representing equivalent ligand A4E 402(B) )