Receptor
PDB id Resolution Class Description Source Keywords
2D81 1.66 Å EC: 3.1.1.75 PHB DEPOLYMERASE (S39A) COMPLEXED WITH R3HB TRIMER PENICILLIUM FUNICULOSUM ALPHA/BETA HYDROLASE FOLD CIRCULAR PERMUTATION HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF POLYHYDROXYBUTYRATE DEPOLY FROM PENICILLIUM FUNICULOSUM PROVIDES INSIGHTS INTO RECOGNITION AND DEGRADATION OF BIOPOLYESTERS J.MOL.BIOL. V. 356 993 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:401;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
RB3 A:451;
Valid;
none;
submit data
290.31 C13 H22 O7 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D81 1.66 Å EC: 3.1.1.75 PHB DEPOLYMERASE (S39A) COMPLEXED WITH R3HB TRIMER PENICILLIUM FUNICULOSUM ALPHA/BETA HYDROLASE FOLD CIRCULAR PERMUTATION HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF POLYHYDROXYBUTYRATE DEPOLY FROM PENICILLIUM FUNICULOSUM PROVIDES INSIGHTS INTO RECOGNITION AND DEGRADATION OF BIOPOLYESTERS J.MOL.BIOL. V. 356 993 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2D81 - RB3 C13 H22 O7 C[C@H](CC(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2D81 - RB3 C13 H22 O7 C[C@H](CC(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2D81 - RB3 C13 H22 O7 C[C@H](CC(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RB3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RB3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RB3; 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 : 2D81; Ligand: RB3; 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: 2d81.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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