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PDBsum entry 2hs1
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Ligand/metal interactions
PDB id
2hs1
Ligand highlighted
017-DMS
Ligands
017
017 201(A)
017-DMS
017 203(B) to DMS 204(B)
Metals
_CL
×3
CL 901(A)
CL 902(A)
CL 903(A)
Ligand
017-DMS
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:
C
27
H
37
N
3
O
7
S
DMS
-
Dimethyl sulfoxide
Formula:
C
2
H
6
OS
Validation of ligand annotation
Additional Information
Validation carried out using
MotiveValidator
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Validator
DB
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Residues with less than 7 heavy atoms are not validated.
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3D Viewers:
LIGPLOT
of interactions involving ligand 017-DMS
List of
interactions
017 203(B) to DMS 204(B)
_CL
×3
