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PDBsum entry 1fce
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Ligand/metal interactions
PDB id
1fce
2 instances of ligand highlighted
MGL-SGC-BGC-BGC
Ligands
MGL-SGC-BGC-BGC
×2
MGL 1(B) to BGC 4(B)
MGL 1(C) to BGC 4(C)
Metals
_CA
CA 2000(A)
Ligand
MGL-SGC-BGC-BGC
MGL
-
Methyl beta-D-Glucopyranoside [O1-Methyl-Glucose; methyl beta-D-Glucoside; methyl d- Glucoside; methyl glucoside]
Formula:
C
7
H
14
O
6
SGC
-
4-Thio-Beta-D-Glucopyranose [4-Deoxy-4-Thio-Beta-D-Glucopyranose; 4-Thio-Beta-D- Glucose; 4-Thio-D-Glucose; 4-Thio-Glucose]
Formula:
C
6
H
12
O
5
S
BGC
-
Beta-D-Glucopyranose [Beta-D-Glucose; d-Glucose; glucose]
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
MGL 1(B)
13
13
0
0
Complete
Chiral checks - OK
SGC 2(B)
12
12
1
0
Complete
Chiral checks - OK
BGC 3(B)
12
12
1
1
Complete
Chiral checks - OK
BGC 4(B)
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 MGL-SGC-BGC-BGC
List of
interactions
MGL 1(B) to BGC 4(B)
_CA
