Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET GLU ASP TPO GLN ALA ILE ASP B:1;
 Valid;
 none;
 Kd = 40 uM
996.919 n/a S(CCC...
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 ALA ILE ASP; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 MET GLU ASP TPO GLN ALA ILE ASP 1 1
2 SER ARG MET GLU GLU VAL ASP 0.479339 0.745763
3 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.455172 0.813559
4 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.448485 0.666667
5 ALA THR ILE MET MET GLN ARG GLY 0.448276 0.722222
6 GLU ALA THR GLN LEU MET ASN 0.448 0.754386
7 SER SER ARG THR ARG ARG GLU TPO GLN LEU 0.447368 0.854545
8 ALA SER ASN GLU ASN ILE GLU THR MET 0.444444 0.779661
9 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.433071 0.644068
10 VAL ASN ASP ILE PHE GLU ALA ILE 0.42963 0.633333
11 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 0.423841 0.80303
12 ARG GLN ALA SEP LEU SER ILE SER VAL 0.41958 0.738462
13 GLU GLU ILE ASP VAL VAL SER VAL 0.418033 0.677966
14 ALA SER ASN GLU ASN ALA GLU THR MET 0.417323 0.762712
15 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.413534 0.650794
16 ACE MET GLU GLU VAL ASP 0.410714 0.714286
17 TYR ALA GLY SEP TPO ASP GLU ASN 0.409396 0.701493
18 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.406667 0.825397
19 ASP GLU LEU GLU ILE LYS ALA TYR 0.404255 0.615385
Similar Ligands (3D)
Ligand no: 1; Ligand: MET GLU ASP TPO GLN ALA ILE 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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