Receptor
PDB id Resolution Class Description Source Keywords
5YJS 2.16 Å NON-ENZYME: OTHER STRUCTURE OF VICILIN FROM CAPSICUM ANNUUM CAPSICUM ANNUUM CUPIN 7S GLOBULIN COPPER SITE BINDING POCKET PLANT PROTE
Ref.: STRUCTURE-GUIDED IDENTIFICATION OF FUNCTION: ROLE O ANNUUMVICILIN DURING OXIDATIVE STRESS. BIOCHEM. J. V. 475 3057 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU1 A:604;
B:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+]
SAL B:601;
A:603;
Valid;
Valid;
none;
none;
submit data
138.121 C7 H6 O3 c1ccc...
CL A:601;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:602;
Invalid;
none;
submit data
22.99 Na [Na+]
PG4 A:605;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YJS 2.16 Å NON-ENZYME: OTHER STRUCTURE OF VICILIN FROM CAPSICUM ANNUUM CAPSICUM ANNUUM CUPIN 7S GLOBULIN COPPER SITE BINDING POCKET PLANT PROTE
Ref.: STRUCTURE-GUIDED IDENTIFICATION OF FUNCTION: ROLE O ANNUUMVICILIN DURING OXIDATIVE STRESS. BIOCHEM. J. V. 475 3057 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 SAL 1 1
2 PHT 0.576923 0.636364
3 JKE 0.516129 0.625
4 DBH 0.5 0.869565
5 3HA 0.470588 0.633333
6 GRE 0.466667 0.909091
7 3GQ 0.419355 0.636364
8 GTQ 0.411765 0.952381
9 DOB 0.4 0.952381
10 CAQ 0.4 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YJS; Ligand: SAL; 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: 5yjs.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5YJS; Ligand: SAL; 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: 5yjs.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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