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PDBsum entry 3ib0
Go to PDB code:
Ligand/metal interactions
PDB id
3ib0
Ligand highlighted
NAG-NAG-MAN-MAN-
MAN-MAN
Ligands
NAG-NAG
NAG 1(B) to NAG 2(B)
NAG-NAG-MAN-MAN-
MAN
NAG 1(C) to MAN 5(C)
NAG-NAG-MAN-MAN-
MAN-MAN
NAG 1(D) to MAN 6(D)
CO3
CO3 687(A)
DIF
DIF 701(A)
SO4
×2
SO4 1(A)
SO4 2(A)
EOH
EOH 703(A)
Metals
_FE
FE 999(A)
_ZN
×2
ZN 688(A)
ZN 689(A)
Ligand
NAG-NAG-MAN-MAN-MAN-MAN
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
MAN
-
Alpha-D-Mannopyranose [Alpha-D-Mannose; d-Mannose; mannose]
Formula:
C
6
H
12
O
6
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(D)
15
15
1
1
0
0
0
0
0
0
NAG 2(D)
15
15
1
0
0
0
0
0
0
0
MAN 3(D)
12
12
1
0
0
0
0
0
0
0
MAN 4(D)
12
12
1
0
0
0
0
0
1
0
MAN 5(D)
12
12
1
0
0
0
0
0
1
0
MAN 6(D)
12
12
1
0
0
0
0
0
0
0
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-MAN-MAN-MAN-MAN
List of
interactions
NAG 1(D) to MAN 6(D)
_FE
_ZN
×2
