PDBsum entry 3pww

Ligand/metal interactions

PDB id

3pww


	Ligand highlighted
	ROC

Ligands

ROC

ROC 1001(A)

GOL

GOL 3002(A)

Ligand ROC - (2s)-N-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(Tert-
Butylcarbamoyl)-3,4,4a,5,6,7,8,8a-Octahydro-1h-
Isoquinolin-2-Yl]-3-Hydroxy-1 -Phenyl-Butan-2-Yl]-2-
(Quinolin-2-Ylcarbonylamino)butanediamide
[Fortovase; saquinavir; ro 31-8959]
Formula: C₃₈H₅₀N₆O₅

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
ROC 1001(A)	49	49	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 ROC

List of
interactions

ROC 1001(A)