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PDBsum entry 3jwt
Go to PDB code:
Ligand/metal interactions
PDB id
3jwt
2 instances of ligand highlighted
JI5
Ligands
HEM
×2
HEM 750(A)
H4B
×2
H4B 760(A)
JI5
×2
JI5 800(A)
ACT
×2
ACT 860(A)
Metals
_ZN
ZN 900(A)
Ligand
JI5
-
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-
Yl) methyl]pyrrolidin-3-Yl}-N'-[2-(3-
Fluorophenyl) ethyl]ethane-1,2-Diamine
[N1-{(3'R,4'R)-4'-[(6"-Amino-4"-Methylpyridin-2"-
Yl) methyl]pyrrolidin-3'-Yl}-N2-(3'-
Fluorophenethyl) ethane-1,2-Diamine tetrahydrochloride]
Formula:
C
21
H
0
FN
5
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
JI5 800(A)
27
27
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 JI5
List of
interactions
JI5 800(A)
(also representing equivalent ligand JI5 800(B) )
_ZN
