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PDBsum entry 1inh
Go to PDB code:
Ligand/metal interactions
PDB id
1inh
Ligand highlighted
NAG-NAG-BMA-MAN-
BMA-MAN
Ligands
NAG-NAG
×4
NAG 1(C) to NAG 2(C)
NAG 1(F) to NAG 2(F)
NAG-NAG-BMA-FUL
NAG 1(D) to FUL 4(D)
NAG-NAG-BMA-MAN-
BMA-MAN
NAG 1(E) to MAN 6(E)
NAG-NAG-BMA-FUC
NAG 1(H) to FUC 4(H)
NAG-NAG-BMA-MAN-
MAN-MAN
NAG 1(I) to MAN 6(I)
ST6
×2
ST6 471(A)
Metals
_CA
×2
CA 470(A)
Ligand
NAG-NAG-BMA-MAN-BMA-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(E)
15
15
1
1
0
0
0
0
0
0
NAG 2(E)
15
15
1
0
0
0
0
0
0
0
BMA 3(E)
12
12
1
0
0
0
0
0
0
0
MAN 4(E)
12
12
1
0
0
0
0
0
0
0
BMA 5(E)
12
12
1
0
0
0
0
0
1
0
MAN 6(E)
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-MAN-BMA-MAN
List of
interactions
NAG 1(E) to MAN 6(E)
_CA
×2
