Receptor
PDB id Resolution Class Description Source Keywords
5I0G 2.15 Å EC: 3.-.-.- CYCLOALTERNAN-DEGRADING ENZYME FROM TRUEPERELLA PYOGENES IN WITH CYCLOALTERNAN TRUEPERELLA PYOGENES HYDROLASE STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMIINFECTIOUS DISEASES CSGID SUGAR BINDING PROTEIN
Ref.: TRANSFERASE VERSUS HYDROLASE: THE ROLE OF CONFORMAT FLEXIBILITY IN REACTION SPECIFICITY. STRUCTURE V. 25 295 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC A:1;
Valid;
none;
submit data
648.564 n/a OCC1O...
SIN B:805;
Invalid;
none;
submit data
118.088 C4 H6 O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I0F 1.85 Å EC: 3.-.-.- CYCLOALTERNAN-DEGRADING ENZYME FROM TRUEPERELLA PYOGENES IN WITH COVALENT INTERMEDIATE TRUEPERELLA PYOGENES HYDROLASE STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMIINFECTIOUS DISEASES CSGID SUGAR BINDING PROTEIN
Ref.: TRANSFERASE VERSUS HYDROLASE: THE ROLE OF CONFORMAT FLEXIBILITY IN REACTION SPECIFICITY. STRUCTURE V. 25 295 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5I0G - GLC GLC GLC GLC n/a n/a
2 5I0F - GLC GLC n/a n/a
3 5I0E - GLC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5I0G - GLC GLC GLC GLC n/a n/a
2 5I0F - GLC GLC n/a n/a
3 5I0E - GLC GLC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5I0G - GLC GLC GLC GLC n/a n/a
2 5I0F - GLC GLC n/a n/a
3 5I0E - GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
3 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 4PW 0.5 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 BGC GLC GLC GLC 0.9840
2 GLC GLC AC1 0.9642
3 GLC G6D ADH GLC 0.9064
4 GLC GAL GLD ACI 0.9008
5 GLC G6D ACI GLC 0.8960
6 BGC GLC AC1 0.8951
7 GLC GLC DAF 0.8904
8 GLO GLC GLC GLC 0.8881
9 GLC GLC GLC BGC 0.8817
10 SOR GLC GLC GLC 0.8761
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I0F; Ligand: GLC GLC; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5i0f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5F7U GLC GLC GLC 43.6562
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