PDBsum entry 4upt

Ligand/metal interactions

PDB id

4upt


	2 instances of ligand highlighted
	PQW

Ligands

HEM ×2

HEM 500(A)

H4B ×2

H4B 600(A)

PQW ×2

PQW 800(A)

ACT ×4

ACT 860(A)

ACT 861(A)

GOL ×2

GOL 880(A)

Metals

_ZN

ZN 1483(A)

Ligand PQW - N'-[4-[[(2s,4r)-4-[3-[(C-Thiophen-2-
Ylcarbonimidoyl) amino]phenoxy]pyrrolidin-2-
Yl]methoxy]phenyl]thiophene-2-Carboximidamide
Formula: C₂₇H₂₇N₅O₂S₂

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
PQW 800(A)	36	36	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 PQW

List of
interactions

PQW 800(A)

(also representing equivalent ligand PQW 800(B) )