Receptor
PDB id Resolution Class Description Source Keywords
4YEF 1.72 Å EC: 2.-.-.- BETA1 CARBOHYDRATE BINDING MODULE (CBM) OF AMP-ACTIVATED PRO KINASE (AMPK) IN COMPLEX WITH GLUCOSYL-BETA-CYCLODODEXTRIN RATTUS NORVEGICUS CARBOHYDRATE BINDING MODULE CBM AMPK AMP-ACTIVATED PROTEICYCLODEXTRIN SUGAR BINDING PROTEIN
Ref.: DETERMINANTS OF OLIGOSACCHARIDE SPECIFICITY OF THE CARBOHYDRATE-BINDING MODULES OF AMP-ACTIVATED PROTE KINASE. BIOCHEM.J. V. 468 245 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 F:202;
B:202;
B:203;
D:202;
E:203;
E:202;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL A:202;
C:202;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GLC GLC GLC GLC GLC GLC GLC K:1;
N:1;
L:1;
J:1;
I:1;
M:1;
H:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 Atoms found MORE than expected: % Diff = 1.75;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
 Kd = 4.44 uM
1134.99 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YEF 1.72 Å EC: 2.-.-.- BETA1 CARBOHYDRATE BINDING MODULE (CBM) OF AMP-ACTIVATED PRO KINASE (AMPK) IN COMPLEX WITH GLUCOSYL-BETA-CYCLODODEXTRIN RATTUS NORVEGICUS CARBOHYDRATE BINDING MODULE CBM AMPK AMP-ACTIVATED PROTEICYCLODEXTRIN SUGAR BINDING PROTEIN
Ref.: DETERMINANTS OF OLIGOSACCHARIDE SPECIFICITY OF THE CARBOHYDRATE-BINDING MODULES OF AMP-ACTIVATED PROTE KINASE. BIOCHEM.J. V. 468 245 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 4YEF Kd = 4.44 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 1Z0M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 1Z0N - GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 4YEE Kd = 0.32 uM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4YEF Kd = 4.44 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 1Z0M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 1Z0N - GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 4YEE Kd = 0.32 uM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4YEF Kd = 4.44 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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