PDBsum entry 2hs2

Ligand/metal interactions

PDB id

2hs2


	Ligand highlighted
	017

Ligands

017

017 201(A)

017-DMS

017 203(B) to DMS 801(B)

Metals

_CL ×2

CL 501(A)

CL 502(A)

Ligand 017 - (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl(1s,2r)-3- [[(4-
Aminophenyl)sulfonyl](isobutyl)amino]-1-Benzyl-2-
Hydroxypropylcarbamate
[Darunavir; tmc114; uic-94017]
Formula: C₂₇H₃₇N₃O₇S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
017 201(A)	38	38	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 017

List of
interactions

017 201(A)