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PDBsum entry 1fq9
Go to PDB code:
Ligand/metal interactions
PDB id
1fq9
Ligand highlighted
SGN-IDS-SGN-IDS-
SGN-UAP
Ligands
SGN-IDU-SGN-IDS-
SGN-IDS-SGN-UAP
SGN 1(E) to UAP 8(E)
SGN-IDS-SGN-IDS-
SGN-UAP
SGN 1(F) to UAP 6(F)
Ligand
SGN-IDS-SGN-IDS-SGN-UAP
SGN
-
2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Alpha-D-Glucopyranose [N,O6-Disulfo-Glucosamine; 6-O-Sulfo-N-Sulfo-Alpha-D- Glucosamine; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Alpha-D- Glucose; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-D-Glucose; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Glucose]
Formula:
C
6
H
13
NO
11
S
2
IDS
-
2-O-Sulfo-Alpha-L-Idopyranuronic acid [O2-Sulfo-Glucuronic acid; 2-O-Sulfo-Alpha-L-Iduronic acid; 2-O-Sulfo-L-Iduronic acid; 2-O-Sulfo-Iduronic acid]
Formula:
C
6
HOO
10
S
UAP
-
4-Deoxy-2-O-Sulfo-Alpha-L-Threo-Hex-4-Enopyranuronic acid [4-Deoxy-2-O-Sulfo-Alpha-L-Threo-Hex-4-Enuronic acid; 4- Deoxy-2-O-Sulfo-L-Threo-Hex-4-Enuronic acid; 4-Deoxy- 2-O-Sulfo-Threo-Hex-4-Enuronic acid]
Formula:
C
6
H
8
O
9
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
SGN 1(F)
20
20
0
0
Complete
Chiral checks - OK
IDS 2(F)
17
17
1
0
Complete
Chiral checks - OK
SGN 3(F)
20
20
1
0
Complete
Chiral checks - OK
IDS 4(F)
17
17
1
0
Complete
Chiral checks - OK
SGN 5(F)
20
20
1
0
Complete
Chiral checks - OK
UAP 6(F)
16
16
1
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
SGN 1(F)
O3S: O2S
|
O1S: O3S
2
IDS 2(F)
O3S: O1S
|
O2S: O3S
2
SGN 3(F)
-
0
IDS 4(F)
-
0
SGN 5(F)
O3S: O1S
|
O2S: O3S
2
UAP 6(F)
O3S: O1S
|
O1S: O2S
2
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 SGN-IDS-SGN-IDS-SGN-UAP
List of
interactions
SGN 1(F) to UAP 6(F)
