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PDBsum entry 6bkt
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Ligand/metal interactions
PDB id
6bkt
Ligand highlighted
NAG-GAL-SIA
Ligands
NAG-NAG
×4
NAG 1(C) to NAG 2(C)
NAG 1(D) to NAG 2(D)
NAG 1(E) to NAG 2(E)
NAG 1(F) to NAG 2(F)
NAG-GAL-SIA
NAG 1(G) to SIA 3(G)
NAG
×3
NAG 403(A)
NAG 408(A)
NAG 201(B)
PEG
PEG 414(A)
SO4
×4
SO4 415(A)
SO4 416(A)
SO4 204(B)
SO4 205(B)
1PE
×2
1PE 202(B)
1PE 203(B)
Ligand
NAG-GAL-SIA
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
GAL
-
Beta-D-Galactopyranose [Beta-D-Galactose; d-Galactose; galactose]
Formula:
C
6
H
12
O
6
SIA
-
N-Acetyl-Alpha-Neuraminic acid [N-Acetylneuraminic acid; sialic acid; alpha-Sialic acid; o-Sialic acid]
Formula:
C
11
H
19
NO
9
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
0
0
Complete
Chiral checks - OK
GAL 2(G)
12
12
1
0
Complete
Chiral checks - OK
SIA 3(G)
21
21
1
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
NAG 1(G)
-
0
GAL 2(G)
-
0
SIA 3(G)
O1B: O1A
|
O1A: O1B
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 NAG-GAL-SIA
List of
interactions
NAG 1(G) to SIA 3(G)
