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PDBsum entry 4xr4
Go to PDB code:
Ligand/metal interactions
PDB id
4xr4
3 instances of ligand highlighted
AG2
Ligands
NAD
×2
NAD 501(A)
ACT
×8
ACT 502(A)
ACT 503(A)
ACT 504(A)
ACT 502(B)
ACT 504(B)
ACT 512(B)
SO4
×4
SO4 505(A)
SO4 506(A)
SO4 507(A)
1PS
×4
1PS 508(A)
1PS 506(B)
1PS 509(B)
AG2
×3
AG2 509(A)
AG2 510(B)
Ligand
AG2
-
Agmatine
[(4-Aminobutyl)guanidine]
Formula:
C
5
H
14
N
4
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
AG2 509(A)
9
9
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
AG2 509(A)
NH2: NH1
|
NH1: NH2
2
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 putrescine with similarity 66.67%
LIGPLOT
of interactions involving ligand AG2
List of
interactions
AG2 509(A)
(also representing equivalent ligand AG2 511(B) )
