Receptor
PDB id Resolution Class Description Source Keywords
6B79 1.8 Å EC: 1.15.1.1 CURVED PAIR OF SHEETS FORMED FROM SOD1 RESIDUES 28-38 WITH F MUTATION G37R. HOMO SAPIENS AMYLOID FIBRIL PROTEIN FIBRIL
Ref.: ATOMIC STRUCTURES OF CORKSCREW-FORMING SEGMENTS OF REVEAL VARIED OLIGOMER CONFORMATIONS. PROTEIN SCI. V. 27 1231 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS A8E LYS VAL TRP GLY SER ILE LYS ARG LEU B:1;
A:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
n/a n/a
ORA A:101;
Valid;
none;
submit data
408.406 C16 H12 N2 O7 S2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6B79 1.8 Å EC: 1.15.1.1 CURVED PAIR OF SHEETS FORMED FROM SOD1 RESIDUES 28-38 WITH F MUTATION G37R. HOMO SAPIENS AMYLOID FIBRIL PROTEIN FIBRIL
Ref.: ATOMIC STRUCTURES OF CORKSCREW-FORMING SEGMENTS OF REVEAL VARIED OLIGOMER CONFORMATIONS. PROTEIN SCI. V. 27 1231 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6B79 - ORA C16 H12 N2 O7 S2 c1ccc(cc1)....
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 6B79 - ORA C16 H12 N2 O7 S2 c1ccc(cc1)....
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 6B79 - ORA C16 H12 N2 O7 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ORA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ORA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ARH 0.8668
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6B79; Ligand: ORA; 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: 6b79.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6B79; Ligand: ORA; 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: 6b79.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6B79; Ligand: ORA; 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: 6b79.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6B79; Ligand: ORA; 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: 6b79.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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