Receptor
PDB id Resolution Class Description Source Keywords
2HKJ 2 Å EC: 5.99.1.3 TOPOISOMERASE VI-B BOUND TO RADICICOL SULFOLOBUS SHIBATAE TOPOISOMERASE GHKL DRUG COMPLEX RADICICOL ISOMERASE
Ref.: STRUCTURAL BASIS FOR TOPOISOMERASE VI INHIBITION BY ANTI-HSP90 DRUG RADICICOL NUCLEIC ACIDS RES. V. 34 4269 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:472;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
MG A:471;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
RDC A:501;
Valid;
none;
submit data
364.777 C18 H17 Cl O6 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HKJ 2 Å EC: 5.99.1.3 TOPOISOMERASE VI-B BOUND TO RADICICOL SULFOLOBUS SHIBATAE TOPOISOMERASE GHKL DRUG COMPLEX RADICICOL ISOMERASE
Ref.: STRUCTURAL BASIS FOR TOPOISOMERASE VI INHIBITION BY ANTI-HSP90 DRUG RADICICOL NUCLEIC ACIDS RES. V. 34 4269 2006
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1Z5B - ALF ADP n/a n/a
2 1Z59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2HKJ - RDC C18 H17 Cl O6 C[C@@H]1C[....
4 1Z5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1MX0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 1Z5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1Z5B - ALF ADP n/a n/a
2 1Z59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2HKJ - RDC C18 H17 Cl O6 C[C@@H]1C[....
4 1Z5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1MX0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 1Z5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z5B - ALF ADP n/a n/a
2 1Z59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2HKJ - RDC C18 H17 Cl O6 C[C@@H]1C[....
4 1Z5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1MX0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 1Z5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RDC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RDC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HKJ; Ligand: RDC; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2hkj.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5F5R ANP 16.8067
2 1YC4 43P 17.4242
3 2IOR ADP 22.9787
4 2O1V ADP 28.5714
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