Receptor
PDB id Resolution Class Description Source Keywords
3VKX 2.1 Å NON-ENZYME: IMMUNE STRUCTURE OF PCNA HOMO SAPIENS NUCLEI DNA BINDING PROTEIN
Ref.: IDENTIFICATION OF SMALL MOLECULE PROLIFERATING CELL ANTIGEN (PCNA) INHIBITOR THAT DISRUPTS INTERACTIONS PIP-BOX PROTEINS AND INHIBITS DNA REPLICATION J.BIOL.CHEM. V. 287 14289 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:268;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
SO4 A:262;
A:263;
A:264;
A:265;
A:266;
A:267;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
T3 A:301;
 Valid;
 none;
 submit data
650.973 C15 H12 I3 N O4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VKX 2.1 Å NON-ENZYME: IMMUNE STRUCTURE OF PCNA HOMO SAPIENS NUCLEI DNA BINDING PROTEIN
Ref.: IDENTIFICATION OF SMALL MOLECULE PROLIFERATING CELL ANTIGEN (PCNA) INHIBITOR THAT DISRUPTS INTERACTIONS PIP-BOX PROTEINS AND INHIBITS DNA REPLICATION J.BIOL.CHEM. V. 287 14289 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 3VKX - T3 C15 H12 I3 N O4 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 3VKX - T3 C15 H12 I3 N O4 c1cc(c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3VKX - T3 C15 H12 I3 N O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: T3; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 T3 1 1
2 4HY 0.644068 0.736842
3 T44 0.644068 1
4 T33 0.606061 1
5 IYR 0.561404 0.891892
Similar Ligands (3D)
Ligand no: 1; Ligand: T3; Similar ligands found: 14
No: Ligand Similarity coefficient
1 OEF 0.9384
2 T4A 0.9383
3 B72 0.9095
4 PBF 0.8912
5 64L 0.8857
6 D1L 0.8842
7 5PP 0.8834
8 8PC 0.8797
9 JPA 0.8795
10 JPM 0.8773
11 DP8 0.8695
12 PFA 0.8656
13 24P 0.8591
14 W1G 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VKX; Ligand: T3; 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: 3vkx.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VKX; Ligand: T3; 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: 3vkx.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VKX; Ligand: T3; 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: 3vkx.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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