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PDBsum entry 4tmf
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Ligand/metal interactions
PDB id
4tmf
2 instances of ligand highlighted
JS2
Ligands
JS2
×2
JS2 401(A)
Ligand
JS2
-
5-O-[(R)-{[(S)-[4-(8-Amino-6-Oxo-1,6-Dihydro-9h-Purin- 9-
Yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]-
Alpha-D- Ribofuranose
[5-O-[(R)-{[(S)-[4-(8-Amino-6-Oxo-1,6-Dihydro-9h-Purin- 9-
Yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]-
Alpha-D- Ribose; 5-O-[(R)-{[(S)-[4-(8- Amino-6-Oxo-1,6-
Dihydro-9h-Purin-9-
Yl) butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-D-
Ribose; 5-O-[(R)-{[(S)-[4-(8-Amino-6-Oxo-1,6-Dihydro- 9h-
Purin-9-
Yl)butoxy](hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]-
Ribose]
Formula:
C
14
H
23
N
5
O
12
P
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
JS2 401(A)
33
33
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:
Ligand matches this enzyme's product ADP-D-ribose with similarity 46.81%
LIGPLOT
of interactions involving ligand JS2
List of
interactions
JS2 401(A)
(also representing equivalent ligand JS2 401(B) )
