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PDBsum entry 1tye
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Ligand/metal interactions
PDB id
1tye
2 instances of ligand highlighted
NAG-NAG-MAN-BMA
Ligands
NAG-NAG-MAN-BMA
×2
NAG 1(G) to BMA 4(G)
NAG-NAG-MAN-BMA-
MAN
NAG 1(H) to MAN 5(H)
NAG
×7
NAG 1001(B)
NAG 1006(B)
NAG 1014(E)
CAC
×3
CAC 1301(B)
Metals
_CA
×18
CA 1407(A)
CA 1403(B)
CA 1404(A)
CA 1405(A)
CA 1406(A)
CA 1402(B)
_MG
×3
MG 1401(B)
Ligand
NAG-NAG-MAN-BMA
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
BMA
-
Beta-D-Mannopyranose [Beta-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(G)
15
15
1
1
Complete
Chiral checks - OK
NAG 2(G)
15
15
1
0
Complete
Chiral checks - OK
MAN 3(G)
12
12
1
0
Complete
Chiral checks - OK
BMA 4(G)
12
12
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-MAN-BMA
List of
interactions
NAG 1(G) to BMA 4(G)
(also representing equivalent ligand NAG 1(I) to BMA 4(I) )
_CA
×18
_MG
×3
