Receptor
PDB id Resolution Class Description Source Keywords
4FE9 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SUSF FROM BACTEROIDES THETAIOTAOMICRON BACTEROIDES THETAIOTAOMICRON STARCH BINDING IG FOLD EXTRACELLULAR SURFACE OUTERMEMBRANCARBOHYDRATE-BINDING PROTEIN
Ref.: MULTIDOMAIN CARBOHYDRATE-BINDING PROTEINS INVOLVED BACTEROIDES THETAIOTAOMICRON STARCH METABOLISM. J.BIOL.CHEM. V. 287 34614 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:509;
A:510;
A:511;
A:512;
A:513;
A:515;
A:518;
A:520;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:517;
A:519;
A:521;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:514;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PO4 A:516;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
GLC GLC GLC GLC C:1;
Valid;
none;
submit data
648.564 n/a OCC1O...
GLC GLC GLC GLC GLC GLC GLC B:1;
Valid;
none;
submit data
1134.99 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FE9 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SUSF FROM BACTEROIDES THETAIOTAOMICRON BACTEROIDES THETAIOTAOMICRON STARCH BINDING IG FOLD EXTRACELLULAR SURFACE OUTERMEMBRANCARBOHYDRATE-BINDING PROTEIN
Ref.: MULTIDOMAIN CARBOHYDRATE-BINDING PROTEINS INVOLVED BACTEROIDES THETAIOTAOMICRON STARCH METABOLISM. J.BIOL.CHEM. V. 287 34614 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4FE9 - GLC GLC GLC GLC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4FE9 - GLC GLC GLC GLC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4FE9 - GLC GLC 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
Ligand no: 2; 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; 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
Ligand no: 2; 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)
Pocket No.: 1; Query (leader) PDB : 4FE9; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4fe9.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4FE9; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4fe9.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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