Receptor
PDB id Resolution Class Description Source Keywords
4GLJ 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF METHYLTHIOADENOSINE PHOSPHORYLASE IN CO RHODAMINE B UNCULTURED BACTERIUM METHYLTHIOADENOSINE PHOSPHORYLASE METHYLTHIOADENOSINE RHODMETHAGENOMIC LIBRARY ANTARCTIC SOIL TRANSFERASE
Ref.: A STUDY ON THE INTERACTION OF RHODAMINE B WITH METHYLTHIOADENOSINE PHOSPHORYLASE PROTEIN SOURCED F ANTARCTIC SOIL METAGENOMIC LIBRARY. PLOS ONE V. 8 55697 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RHB A:302;
A:301;
Valid;
Valid;
none;
none;
submit data
443.557 C28 H31 N2 O3 CCN(C...
CL A:305;
A:304;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
PO4 A:303;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GLJ 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF METHYLTHIOADENOSINE PHOSPHORYLASE IN CO RHODAMINE B UNCULTURED BACTERIUM METHYLTHIOADENOSINE PHOSPHORYLASE METHYLTHIOADENOSINE RHODMETHAGENOMIC LIBRARY ANTARCTIC SOIL TRANSFERASE
Ref.: A STUDY ON THE INTERACTION OF RHODAMINE B WITH METHYLTHIOADENOSINE PHOSPHORYLASE PROTEIN SOURCED F ANTARCTIC SOIL METAGENOMIC LIBRARY. PLOS ONE V. 8 55697 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4GLJ - RHB C28 H31 N2 O3 CCN(CC)c1c....
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 4GLJ - RHB C28 H31 N2 O3 CCN(CC)c1c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GLJ - RHB C28 H31 N2 O3 CCN(CC)c1c....
2 2A8Y - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RHB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RHB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RHB; 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 : 4GLJ; Ligand: RHB; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4glj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1VMK GUN 23.8267
2 1VMK GUN 23.8267
3 1VMK GUN 23.8267
Pocket No.: 2; Query (leader) PDB : 4GLJ; Ligand: RHB; 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: 4glj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4GLJ; Ligand: RHB; 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: 4glj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4GLJ; Ligand: RHB; 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: 4glj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4GLJ; Ligand: RHB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4glj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4GLJ; Ligand: RHB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4glj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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