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PDBsum entry 3wr0
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Ligand/metal interactions
PDB id
3wr0
2 instances of ligand highlighted
NHE
Ligands
NHE
×2
NHE 401(A)
NHE 402(A)
GOL
×3
GOL 405(A)
GOL 406(A)
GOL 407(A)
Metals
_CA
×2
CA 403(A)
CA 404(A)
Ligand
NHE
-
2-[N-Cyclohexylamino]ethane sulfonic acid
[N-Cyclohexyltaurine; ches]
Formula:
C
8
H
17
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
NHE 401(A)
13
13
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
NHE 401(A)
O3: O2
|
O2: O3
2
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 NHE
List of
interactions
NHE 401(A)
_CA
×2
