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PDBsum entry 4xii
Go to PDB code:
Ligand/metal interactions
PDB id
4xii
2 instances of ligand highlighted
40V
Ligands
NAG-NAG-FUL
NAG 1(C) to FUL 3(C)
NAG-NAG
×4
NAG 1(D) to NAG 2(D)
NAG 1(E) to NAG 2(E)
NAG 1(F) to NAG 2(F)
NAG 1(G) to NAG 2(G)
40V
×2
40V 1001(A)
NAG
×9
NAG 1002(A)
NAG 1004(A)
NAG 1003(B)
NAG 1004(B)
NAG 1007(B)
NAG 1009(B)
NAG 1010(B)
FUL
×2
FUL 1003(A)
FUL 1006(A)
FUC
FUC 1005(A)
EDO
×4
EDO 1010(A)
EDO 1011(A)
EDO 1012(B)
EDO 1013(B)
NAG-FUL
NAG 1005(B) to FUL 1006(B)
Metals
_CL
×4
CL 1007(A)
CL 1008(A)
CL 1009(A)
CL 1011(B)
Ligand
40V
-
N-{[(3r)-1-(2,3-Dihydro-1h-Inden-2-Yl)piperidin-3-
Yl]methyl}-8-Hydroxy-N-(2-Methoxyethyl)-5-
Nitroquinoline-7-Carboxamide
Formula:
C
28
H
32
N
4
O
5
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
40V 1001(A)
37
37
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 40V
List of
interactions
40V 1001(A)
(also representing equivalent ligand 40V 1001(B) )
_CL
×4
