Receptor
PDB id Resolution Class Description Source Keywords
3DG6 1.6 Å EC: 5.5.1.- CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM MUCOBA SMEGMATIS COMPLEXED WITH MUCONOLACTONE MYCOBACTERIUM SMEGMATIS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERAS
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MUC A:1001;
Valid;
none;
submit data
142.109 C6 H6 O4 C1=CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DG6 1.6 Å EC: 5.5.1.- CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM MUCOBA SMEGMATIS COMPLEXED WITH MUCONOLACTONE MYCOBACTERIUM SMEGMATIS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERAS
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
3 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
4 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MUC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MUC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DG6; Ligand: MUC; 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: 3dg6.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DG6; Ligand: MUC; 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: 3dg6.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DG6; Ligand: MUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3dg6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3DG6; Ligand: MUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3dg6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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