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PDBsum entry 3ekt
Go to PDB code:
Ligand/metal interactions
PDB id
3ekt
2 instances of ligand highlighted
017
Ligands
ACT
×8
ACT 606(A)
ACT 608(A)
ACT 603(C)
ACT 604(C)
ACT 602(D)
017
×2
017 200(B)
PO4
×5
PO4 502(C)
PO4 503(C)
PO4 505(C)
PO4 501(D)
PO4 504(D)
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:
C
27
H
37
N
3
O
7
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
017 200(B)
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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3D Viewers:
LIGPLOT
of interactions involving ligand 017
List of
interactions
017 200(B)
(also representing equivalent ligand 017 200(D) )
