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PDBsum entry 2win
Go to PDB code:
Ligand/metal interactions
PDB id
2win
Ligand highlighted
NAG-NAG-BMA-BMA-
BMA-BMA
Ligands
NAG-NAG-BMA-BMA
×4
NAG 1(O) to BMA 4(O)
NAG 1(R) to BMA 4(R)
NAG-NAG-BMA-BMA-
BMA
×2
NAG 1(S) to BMA 5(S)
NAG 1(W) to BMA 5(W)
NAG-NAG-BMA-BMA-
BMA-BMA
NAG 1(V) to BMA 6(V)
NAG-NAG-MAN-MAN
NAG 1(X) to MAN 4(X)
NAG-NAG-MAN
×2
NAG 1(Y) to MAN 3(Y)
NAG-NAG
NAG 1(Z) to NAG 2(Z)
NAG-NAG-MAN-MAN-
MAN
NAG 1(b) to MAN 5(b)
NAG-NAG-BMA
NAG 1(c) to BMA 3(c)
MAN
MAN 701(A)
BMA
×2
BMA 1701(B)
BMA 802(K)
NAG
NAG 803(K)
Metals
_MG
×4
MG 801(I)
Ligand
NAG-NAG-BMA-BMA-BMA-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
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(V)
15
15
1
1
0
0
0
0
1
0
NAG 2(V)
15
15
1
0
0
0
0
0
0
0
BMA 3(V)
12
12
1
0
0
0
0
0
0
0
BMA 4(V)
12
12
1
0
0
0
0
0
0
0
BMA 5(V)
12
12
1
0
0
0
0
0
0
0
BMA 6(V)
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-BMA-BMA-BMA-BMA
List of
interactions
NAG 1(V) to BMA 6(V)
_MG
×4
