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PDBsum entry 4xr4
Go to PDB code:
Ligand/metal interactions
PDB id
4xr4
4 instances of ligand highlighted
1PS
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
1PS
-
3-Pyridinium-1-Ylpropane-1-Sulfonate
[1-(3-Sulfopropyl) pyridinium; pps]
Formula:
C
8
H
11
NO
3
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
1PS 509(B)
13
13
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
1PS 509(B)
C3: C1
|
C4: C2
|
C1: C3
|
C2: C4
|
O3: O2...
6
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 1PS
List of
interactions
1PS 509(B)
