Receptor
PDB id Resolution Class Description Source Keywords
3UOT 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MDC1 FHA DOMAIN IN COMPLEX WITH A PHOSP PEPTIDE FROM THE MDC1 N-TERMINUS HOMO SAPIENS FHA DOMAIN DNA-DAMAGE MDC1 DIMERIZATION CELL CYCLE
Ref.: THE MOLECULAR BASIS OF ATM-DEPENDENT DIMERIZATION O MDC1 DNA DAMAGE CHECKPOINT MEDIATOR. NUCLEIC ACIDS RES. V. 40 3913 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET GLU ASP TPO GLN MSE ILE ASP TRP ASP D:2;
E:2;
 Valid;
Valid;
 none;
none;
 submit data
1085.92 n/a [Se](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UNN 1.7 Å NON-ENZYME: OTHER MONOMERIC STRUCTURE OF THE HUMAN MDC1 FHA DOMAIN IN COMPLEX MDC1 PHOSPHO-T4 PEPTIDE HOMO SAPIENS FHA PROTEIN BINDING PHOSPHOPROTEIN BINDING
Ref.: STRUCTURAL MECHANISM OF THE PHOSPHORYLATION-DEPENDE DIMERIZATION OF THE MDC1 FORKHEAD-ASSOCIATED DOMAIN NUCLEIC ACIDS RES. V. 40 3898 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3UOT - MET GLU ASP TPO GLN MSE ILE ASP TRP ASP n/a n/a
2 3UNN Kd = 40 uM MET GLU ASP TPO GLN ALA ILE ASP n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3UOT - MET GLU ASP TPO GLN MSE ILE ASP TRP ASP n/a n/a
2 3UNN Kd = 40 uM MET GLU ASP TPO GLN ALA ILE ASP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3UOT - MET GLU ASP TPO GLN MSE ILE ASP TRP ASP n/a n/a
2 3UNN Kd = 40 uM MET GLU ASP TPO GLN ALA ILE ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET GLU ASP TPO GLN MSE ILE ASP TRP ASP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 1 1
2 ASP TRP GLU ILE VAL 0.447552 0.712121
3 ALA LEU ASP LYS TRP GLN ASN 0.434483 0.695652
4 MET GLU ASP TPO GLN ALA ILE ASP 0.423841 0.80303
5 FME ASP VAL GLU ALA TRP LEU 0.417178 0.746269
6 SER LEU LEU MET TRP ILE THR GLN SER 0.408537 0.774648
7 SER LEU LEU MET TRP ILE THR GLN ALA 0.406061 0.774648
8 SER LEU LEU MET TRP ILE THR GLN LEU 0.402439 0.774648
Similar Ligands (3D)
Ligand no: 1; Ligand: MET GLU ASP TPO GLN MSE ILE ASP TRP ASP; 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 : 3UNN; Ligand: MET GLU ASP TPO GLN ALA ILE ASP; 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: 3unn.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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