Receptor
PDB id Resolution Class Description Source Keywords
4FEM 2.5 Å NON-ENZYME: OTHER STRUCTURE OF SUSE WITH ALPHA-CYCLODEXTRIN BACTEROIDES THETAIOTAOMICRON STARCH BINDING EXTRACELLULAR OUTERMEMBRANE CARBOHYDRATE-BPROTEIN
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
ACX A:401;
Valid;
none;
Kd = 86.96 uM
972.844 C36 H60 O30 C([C@...
EDO A:402;
A:403;
A:404;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FEM 2.5 Å NON-ENZYME: OTHER STRUCTURE OF SUSE WITH ALPHA-CYCLODEXTRIN BACTEROIDES THETAIOTAOMICRON STARCH BINDING EXTRACELLULAR OUTERMEMBRANE CARBOHYDRATE-BPROTEIN
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 1443 families.
1 4FEM Kd = 86.96 uM ACX C36 H60 O30 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4FEM Kd = 86.96 uM ACX C36 H60 O30 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4FCH Kd = 134.2 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 4FEM Kd = 86.96 uM ACX C36 H60 O30 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACX; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FEM; Ligand: ACX; 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: 4fem.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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