Receptor
PDB id Resolution Class Description Source Keywords
5MJI 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ROSB WITH BOUND INTERMEDIATE OHC-RP (8- 8-FORMYLRIBOFLAVIN-5'-PHOSPHATE) STREPTOMYCES DAVAWENSIS JCM 4913 FLAVODOXIN-LIKE ROSEOFLAVIN ELECTRON TRANSPORT FLAVOPROTE
Ref.: THE CRYSTAL STRUCTURE OF ROSB: INSIGHTS INTO THE RE MECHANISM OF THE FIRST MEMBER OF A FAMILY OF FLAVOD ENZYMES. ANGEW. CHEM. INT. ED. ENGL. V. 56 1146 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7O6 A:301;
 Valid;
 none;
 submit data
471.335 C17 H20 N4 O10 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MJI 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ROSB WITH BOUND INTERMEDIATE OHC-RP (8- 8-FORMYLRIBOFLAVIN-5'-PHOSPHATE) STREPTOMYCES DAVAWENSIS JCM 4913 FLAVODOXIN-LIKE ROSEOFLAVIN ELECTRON TRANSPORT FLAVOPROTE
Ref.: THE CRYSTAL STRUCTURE OF ROSB: INSIGHTS INTO THE RE MECHANISM OF THE FIRST MEMBER OF A FAMILY OF FLAVOD ENZYMES. ANGEW. CHEM. INT. ED. ENGL. V. 56 1146 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5MJI - 7O6 C17 H20 N4 O10 P Cc1cc2c(cc....
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 5MJI - 7O6 C17 H20 N4 O10 P Cc1cc2c(cc....
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 5MJI - 7O6 C17 H20 N4 O10 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7O6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7O6 1 1
2 9OR 0.453704 0.96
Similar Ligands (3D)
Ligand no: 1; Ligand: 7O6; Similar ligands found: 4
No: Ligand Similarity coefficient
1 FMN 0.9670
2 9O9 0.9207
3 5DD 0.9181
4 FNR 0.8955
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MJI; Ligand: 7O6; 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: 5mji.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MJI; Ligand: 7O6; 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: 5mji.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MJI; Ligand: 7O6; 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: 5mji.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5MJI; Ligand: 7O6; 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: 5mji.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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