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PDBsum entry 3smb
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Ligand/metal interactions
PDB id
3smb
3 instances of ligand highlighted
LE2
Ligands
LE2
×3
LE2 200(A)
Metals
_NA
×3
NA 801(A)
_CL
×9
CL 701(A)
CL 704(A)
CL 706(A)
CL 707(A)
Ligand
LE2
-
N-(2-Phenylethyl)thioformamide
[Phenylethyl isothiocyanate, Bound form; n-(2-
Phenylethyl)thiocarbamyl group]
Formula:
C
9
H
11
NS
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
LE2 200(A)
11
11
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 reactant L-dopachrome with similarity 56.25%
LIGPLOT
of interactions involving ligand LE2
List of
interactions
LE2 200(A)
also representing 2 other equivalent ligands:
LE2 200(B)
LE2 200(C)
_NA
×3
