Receptor
PDB id Resolution Class Description Source Keywords
6F7W 1.28 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF DIMETHYLATED RSL - CUCURBIT[7]URIL COMP FORM RALSTONIA SOLANACEARUM CUCURBITURIL DIMETHYLLYSINE SUPRAMOLECULAR RECOGNITION SUBINDING PROTEIN
Ref.: CUCURBIT[7]URIL-DIMETHYLLYSINE RECOGNITION IN A MOD PROTEIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 7126 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QQ7 C:101;
A:101;
B:101;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
1162.96 C42 H42 N28 O14 C1N2C...
GOL C:103;
C:102;
B:102;
C:104;
A:102;
A:103;
B:103;
A:104;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA B:104;
 Invalid;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F7W 1.28 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF DIMETHYLATED RSL - CUCURBIT[7]URIL COMP FORM RALSTONIA SOLANACEARUM CUCURBITURIL DIMETHYLLYSINE SUPRAMOLECULAR RECOGNITION SUBINDING PROTEIN
Ref.: CUCURBIT[7]URIL-DIMETHYLLYSINE RECOGNITION IN A MOD PROTEIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 7126 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6F7W - QQ7 C42 H42 N28 O14 C1N2C3C4N(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6F7W - QQ7 C42 H42 N28 O14 C1N2C3C4N(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6F7W - QQ7 C42 H42 N28 O14 C1N2C3C4N(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QQ7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 QQ7 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: QQ7; 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 : 6F7W; Ligand: QQ7; 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: 6f7w.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6F7W; Ligand: QQ7; 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: 6f7w.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6F7W; Ligand: QQ7; 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: 6f7w.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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