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PDBsum entry 5ktw
Go to PDB code:
Ligand/metal interactions
PDB id
5ktw
3 instances of ligand highlighted
6XG
Ligands
6XG
×3
6XG 1201(A)
EDO
×8
EDO 1202(A)
EDO 1203(A)
EDO 1204(A)
EDO 1202(B)
EDO 1203(B)
EDO 1204(B)
EDO 1203(C)
Ligand
6XG
-
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-
Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{N}-Propan-2-Yl-
Benzamide
Formula:
C
22
H
29
N
5
O
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
6XG 1201(A)
29
29
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
6XG 1201(A)
C3: C1
|
C1: C3
|
C22: C21
|
C21: C22
4
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 6XG
List of
interactions
6XG 1201(A)
also representing 2 other equivalent ligands:
6XG 1201(B)
6XG 1201(C)
