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PDBsum entry 3mrt
Go to PDB code:
Ligand/metal interactions
PDB id
3mrt
2 instances of ligand highlighted
12E
Ligands
12E
×2
12E 920(A)
12E 998(A)
Ligand
12E
-
N-{[(2e)-2-(Pyridin-4-
Ylmethylidene) hydrazino]carbonothioyl}-Beta-D-
Glucopyranosylamine
[4-Pyridinecarboxaldehyde-4-(Beta-D-
Glucopyranosyl) thiosemicarbazone; n-{[(2e)-2-(Pyridin-4-
Ylmethylidene)hydrazino]carbonothioyl}-Beta-D-
Glucosylamine; n-{[(2e)-2-(Pyridin-4-
Ylmethylidene) hydrazino]carbonothioyl}-D-Glucosylamine; n-
{[(2e)-2- (Pyridin-4-
Ylmethylidene)hydrazino]carbonothioyl}- Glucosylamine]
Formula:
C
13
H
18
N
4
O
5
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
12E 920(A)
23
23
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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of interactions involving ligand 12E
List of
interactions
12E 920(A)
