Receptor
PDB id Resolution Class Description Source Keywords
6nyo 1.5 Å EC: 2.3.2.23 CRYSTAL STRUCTURE OF A HUMAN CDC34-UBIQUITIN THIOESTER MIMET HOMO SAPIENS CONFORMATIONAL CHANGE THIOESTER ADENYLATION THIOESTER TRATRANSTHIOESTERIFICATION ATP-BINDING UBIQUITIN E2-BINDINGUBIQUITINATION LIGASE LIGASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO E1 RECOGNITION AND THE UBIQUITIN-CONJUGATING ACTIVITY OF THE E2 ENZYME CDC NAT COMMUN V. 10 3296 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:302;
E:102;
E:101;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
U94 A:301;
 Valid;
 none;
 submit data
442.29 C20 H21 Cl2 N O6 COCC(...
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
6NYO 1.5 Å EC: 2.3.2.23 CRYSTAL STRUCTURE OF A HUMAN CDC34-UBIQUITIN THIOESTER MIMET HOMO SAPIENS CONFORMATIONAL CHANGE THIOESTER ADENYLATION THIOESTER TRATRANSTHIOESTERIFICATION ATP-BINDING UBIQUITIN E2-BINDINGUBIQUITINATION LIGASE LIGASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO E1 RECOGNITION AND THE UBIQUITIN-CONJUGATING ACTIVITY OF THE E2 ENZYME CDC NAT COMMUN V. 10 3296 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6NYO - U94 C20 H21 Cl2 N O6 COCC(=O)N[....
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 6NYO - U94 C20 H21 Cl2 N O6 COCC(=O)N[....
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 6NYO - U94 C20 H21 Cl2 N O6 COCC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: U94; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 U94 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: U94; 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 : 6NYO; Ligand: U94; 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: 6nyo.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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