Receptor
PDB id Resolution Class Description Source Keywords
4O4K 2.1 Å EC: 7.-.-.- DNA DOUBLE-STRAND BREAK REPAIR PATHWAY CHOICE IS DIRECTED BY MRE11 NUCLEASE ACTIVITIES THERMOTOGA MARITIMA DNA REPAIR DNA DOUBLE-STRAND BREAK REPAIR THERMOPHILIC MRE11REPAIR DNA DOUBLE-STRAND BREAK REPAIR DNA BINDING PROTEIN-COMPLEX
Ref.: DNA DOUBLE-STRAND BREAK REPAIR PATHWAY CHOICE IS DI DISTINCT MRE11 NUCLEASE ACTIVITIES. MOL.CELL V. 53 7 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:402;
B:401;
B:402;
A:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
2PK A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
222.264 C10 H10 N2 O2 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O4K 2.1 Å EC: 7.-.-.- DNA DOUBLE-STRAND BREAK REPAIR PATHWAY CHOICE IS DIRECTED BY MRE11 NUCLEASE ACTIVITIES THERMOTOGA MARITIMA DNA REPAIR DNA DOUBLE-STRAND BREAK REPAIR THERMOPHILIC MRE11REPAIR DNA DOUBLE-STRAND BREAK REPAIR DNA BINDING PROTEIN-COMPLEX
Ref.: DNA DOUBLE-STRAND BREAK REPAIR PATHWAY CHOICE IS DI DISTINCT MRE11 NUCLEASE ACTIVITIES. MOL.CELL V. 53 7 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4O24 - 2Q0 C14 H17 N O2 S2 CC(C)CN1C(....
2 6ASC - BU7 C14 H15 N O2 S2 CCCCN1C(=O....
3 4O4K - 2PK C10 H10 N2 O2 S c1cc(ccc1C....
4 4O5G - 2PV C10 H11 N3 O S c1cc(ccc1C....
5 4O43 - 2PW C14 H17 N O2 S2 CC[C@@H](C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4O24 - 2Q0 C14 H17 N O2 S2 CC(C)CN1C(....
2 6ASC - BU7 C14 H15 N O2 S2 CCCCN1C(=O....
3 4O4K - 2PK C10 H10 N2 O2 S c1cc(ccc1C....
4 4O5G - 2PV C10 H11 N3 O S c1cc(ccc1C....
5 4O43 - 2PW C14 H17 N O2 S2 CC[C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4O24 - 2Q0 C14 H17 N O2 S2 CC(C)CN1C(....
2 6ASC - BU7 C14 H15 N O2 S2 CCCCN1C(=O....
3 4O4K - 2PK C10 H10 N2 O2 S c1cc(ccc1C....
4 4O5G - 2PV C10 H11 N3 O S c1cc(ccc1C....
5 4O43 - 2PW C14 H17 N O2 S2 CC[C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2PK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2PK 1 1
2 2PV 0.697674 0.866667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O4K; Ligand: 2PK; 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: 4o4k.bio2) has 52 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O4K; Ligand: 2PK; 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: 4o4k.bio3) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4O4K; Ligand: 2PK; 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: 4o4k.bio3) has 52 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4O4K; Ligand: 2PK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4o4k.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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