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PDBsum entry 4x12
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Ligand/metal interactions
PDB id
4x12
3 instances of ligand highlighted
SIA-SIA
Ligands
SIA-SIA
×3
SIA 1(F) to SIA 2(F)
GOL
×9
GOL 303(A)
GOL 305(B)
GOL 307(B)
GOL 305(C)
GOL 304(D)
GOL 307(E)
EDO
×18
EDO 304(A)
EDO 305(A)
EDO 306(A)
EDO 307(A)
EDO 304(B)
EDO 306(B)
EDO 303(C)
EDO 304(C)
EDO 305(D)
EDO 307(D)
EDO 305(E)
Metals
__K
×10
K 310(A)
K 309(B)
K 307(C)
K 309(D)
K 308(E)
Ligand
SIA-SIA
-
N-Acetyl-Alpha-Neuraminic acid
[N-Acetylneuraminic acid; sialic acid; alpha-Sialic acid; o-
Sialic acid]
Formula:
C
11
H
9
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
SIA 1(F)
21
21
0
0
Complete
Chiral checks - OK
SIA 2(F)
21
21
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 SIA-SIA
List of
interactions
SIA 1(F) to SIA 2(F)
also representing 2 other equivalent ligands:
SIA 1(G) to SIA 2(G)
SIA 1(H) to SIA 2(H)
__K
×10
