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PDBsum entry 3wn5
Go to PDB code:
Ligand/metal interactions
PDB id
3wn5
3 instances of ligand highlighted
NAG-NAG-BMA-MAN-
NAG-GAL-MAN-NAG-
FUL
Ligands
NAG-NAG-BMA-MAN-
NAG-GAL-MAN-NAG-
FUL
×3
NAG 1(G) to FUL 9(G)
NAG 1(H) to FUL 9(H)
NAG-NAG-BMA-MAN-
MAN
NAG 1(I) to MAN 5(I)
NAG-NAG
×2
NAG 1(J) to NAG 2(J)
NAG-NAG-BMA-MAN-
NAG-MAN-NAG-FUL
NAG 1(K) to FUL 8(K)
NAG
NAG 201(F)
Metals
IOD
×16
IOD 1011(A)
IOD 1012(B)
IOD 209(C)
IOD 1009(D)
IOD 1013(E)
IOD 207(F)
IOD 1010(A)
IOD 1010(B)
IOD 1011(B)
IOD 208(C)
IOD 1011(E)
IOD 206(F)
Ligand
NAG-NAG-BMA-MAN-NAG-GAL-MAN-NAG-FUL
NAG
-
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose [N-Acetyl-Beta-D-Glucosamine; 2-Acetamido-2-Deoxy-Beta- D-Glucose; 2-Acetamido-2-Deoxy-D-Glucose; 2-Acetamido- 2-Deoxy-Glucose; n-Acetyl-D-Glucosamine]
Formula:
C
8
H
15
NO
6
BMA
-
Beta-D-Mannopyranose [Beta-D-Mannose; d-Mannose; mannose]
Formula:
C
6
H
12
O
6
MAN
-
Alpha-D-Mannopyranose [Alpha-D-Mannose; d-Mannose; mannose]
Formula:
C
6
H
12
O
6
GAL
-
Beta-D-Galactopyranose [Beta-D-Galactose; d-Galactose; galactose]
Formula:
C
6
H
12
O
6
FUL
-
Beta-L-Fucopyranose [Beta-L-Fucose; 6-Deoxy-Beta-L-Galactopyranose; l- Fucose; fucose; 6-Deoxy-Beta-L-Galactose]
Formula:
C
6
H
12
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
NAG 1(G)
15
15
1
1
Complete
Chiral checks - OK
NAG 2(G)
15
15
1
0
Complete
Chiral checks - OK
BMA 3(G)
12
12
1
0
Complete
Chiral checks - OK
MAN 4(G)
12
12
1
0
Complete
Chiral checks - OK
NAG 5(G)
15
15
1
0
Complete
Chiral checks - OK
GAL 6(G)
12
12
1
0
Complete
Chiral checks - OK
MAN 7(G)
12
12
1
0
Complete
Chiral checks - OK
NAG 8(G)
15
15
1
0
Complete
Chiral checks - OK
FUL 9(G)
11
11
1
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 NAG-NAG-BMA-MAN-NAG-GAL-MAN-NAG-FUL
List of
interactions
NAG 1(G) to FUL 9(G)
IOD
×16
