Receptor
PDB id Resolution Class Description Source Keywords
5W7Y 2.1 Å EC: 4.2.99.18 CRYSTAL STRUCTURE OF FHA DOMAIN OF HUMAN APLF IN COMPLEX WIT MONOPHOSPHORYLATED MUTATED PEPTIDE HOMO SAPIENS SCAFFOLD PROTEIN DNA REPAIR NHEJ PROTEIN BINDING
Ref.: CHARACTERIZATION OF THE APLF FHA-XRCC1 PHOSPHOPEPTI INTERACTION AND ITS STRUCTURAL AND FUNCTIONAL IMPLI NUCLEIC ACIDS RES. V. 45 12374 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO TYR ALA GLY GLU TPO ASP GLU C:514;
D:514;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.076;
Atoms found LESS than expected: % Diff = 0.076;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E50 1.38 Å EC: 4.2.99.18 APLF/XRCC4 COMPLEX HOMO SAPIENS FHA DOMAIN APLF XRCC4 COMPLEX LYASE
Ref.: VERSATILITY IN PHOSPHO-DEPENDENT MOLECULAR RECOGNIT THE XRCC1 AND XRCC4 DNA-DAMAGE SCAFFOLDS BY APRATAX FHA DOMAINS. DNA REPAIR (AMST.) V. 35 116 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5W7Y - PRO TYR ALA GLY GLU TPO ASP GLU n/a n/a
2 5E50 Kd = 7 uM ALA TYR ASP GLU SEP TPO ASP GLU GLU n/a n/a
3 5W7X Kd = 80 uM PRO TYR ALA GLY SEP TPO ASP GLU ASN n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5W7Y - PRO TYR ALA GLY GLU TPO ASP GLU n/a n/a
2 5E50 Kd = 7 uM ALA TYR ASP GLU SEP TPO ASP GLU GLU n/a n/a
3 5W7X Kd = 80 uM PRO TYR ALA GLY SEP TPO ASP GLU ASN n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5W7Y - PRO TYR ALA GLY GLU TPO ASP GLU n/a n/a
2 5E50 Kd = 7 uM ALA TYR ASP GLU SEP TPO ASP GLU GLU n/a n/a
3 5W7X Kd = 80 uM PRO TYR ALA GLY SEP TPO ASP GLU ASN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO TYR ALA GLY GLU TPO ASP GLU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO TYR ALA GLY GLU TPO ASP GLU; 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 : 5E50; Ligand: ALA TYR ASP GLU SEP TPO ASP GLU GLU; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5e50.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 34.2342
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