Receptor
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0SX A:601;
 Valid;
 none;
 submit data
289.717 C14 H12 Cl N3 O2 c1cc2...
ZN B:401;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 125 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 95 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 63 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0SX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0SX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4F9C; Ligand: 0SX; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 4f9c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3LXK MI1 8.56269
2 3LXN MI1 24.8428
3 5LI1 ANP 24.8588
4 4UX9 ANP 26.8698
5 1XJD STU 28.1159
6 4WB7 ATP 31.0249
7 2QCS ANP 31.4286
8 4WB6 ATP 32.5714
9 5WO4 B7V 33.7748
10 5WO4 B7V 33.7748
11 6C7Y ADP 35.6643
12 6CMJ F6J 36.5651
13 6CMJ F6J 36.5651
14 6C0T EE4 41.4986
15 6K3L 3NG 42.6035
16 5HQ0 LZ9 48.3444
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