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PDBsum entry 3wo3
Go to PDB code:
Ligand/metal interactions
PDB id
3wo3
2 instances of ligand highlighted
NAG-NAG-BMA-MAN-
MAN-MAN
Ligands
NAG-NAG-FUC
×3
NAG 1(M) to FUC 3(M)
NAG 1(Q) to FUC 3(Q)
NAG 1(h) to FUC 3(h)
NAG-NAG-BMA-MAN-
MAN-MAN
×2
NAG 1(N) to MAN 6(N)
NAG-NAG
×5
NAG 1(O) to NAG 2(O)
NAG 1(g) to NAG 2(g)
NAG 1(j) to NAG 2(j)
NAG 1(k) to NAG 2(k)
NAG-NAG-BMA
×8
NAG 1(P) to BMA 3(P)
NAG 1(T) to BMA 3(T)
NAG 1(U) to BMA 3(U)
NAG 1(X) to BMA 3(X)
NAG 1(e) to BMA 3(e)
NAG 1(f) to BMA 3(f)
NAG 1(i) to BMA 3(i)
NAG-FUC
NAG 1(R) to FUC 2(R)
NAG-NAG-BMA-MAN-
MAN
×2
NAG 1(S) to MAN 5(S)
NAG 1(a) to MAN 5(a)
NAG-NAG-BMA-FUC
×3
NAG 1(V) to FUC 4(V)
NAG 1(d) to FUC 4(d)
NAG 1(l) to FUC 4(l)
NAG-NAG-BMA-MAN
NAG 1(Y) to MAN 4(Y)
NAG-NAG-BMA-MAN-
FUC
NAG 1(Z) to FUC 5(Z)
SO4
×38
SO4 201(A)
SO4 202(A)
SO4 820(B)
SO4 821(B)
SO4 822(B)
SO4 823(B)
SO4 824(B)
SO4 202(C)
SO4 203(C)
SO4 205(C)
SO4 419(D)
SO4 421(D)
SO4 422(D)
SO4 423(D)
SO4 424(D)
SO4 202(E)
SO4 822(F)
SO4 824(F)
SO4 202(G)
SO4 820(H)
SO4 413(J)
SO4 412(L)
NAG
×8
NAG 901(B)
NAG 902(B)
NAG 903(F)
NAG 903(H)
NAG 903(J)
Ligand
NAG-NAG-BMA-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
BMA
-
Beta-D-Mannopyranose [Beta-D-Mannose; d-Mannose; mannose]
Formula:
C
6
H
12
O
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(N)
15
15
1
1
Complete
Chiral checks - OK
NAG 2(N)
15
15
1
0
Complete
Chiral checks - OK
BMA 3(N)
12
12
1
0
Complete
Chiral checks - OK
MAN 4(N)
12
12
1
0
Complete
Chiral checks - OK
MAN 5(N)
12
12
1
0
Complete
Chiral checks - OK
MAN 6(N)
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-BMA-MAN-MAN-MAN
List of
interactions
NAG 1(N) to MAN 6(N)
(also representing equivalent ligand NAG 1(W) to MAN 6(W) )
