Receptor
PDB id Resolution Class Description Source Keywords
5d3y 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE P-REX1 PH DOMAIN WITH INOSITOL-(1,3 TETRAKISPHOSPHATE BOUND HOMO SAPIENS PLECKSTRIN HOMOLOGY DOMAIN BETA SANDWICH PHOSPHATIDYLINOSIBINDING LIPID BINDING PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE CORE OF THE METASTATIC FACTOR P-REX1 AND ITS REGULA PTDINS(3,4,5)P3. STRUCTURE V. 24 730 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 440 nM
500.075 C6 H16 O18 P4 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D3X 1.69 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE P-REX1 PH DOMAIN WITH INOSITOL-(1,3 TETRAKISPHOSPHATE BOUND HOMO SAPIENS PLECKSTRIN HOMOLOGY DOMAIN BETA SANDWICH PHOSPHATIDYLINOSIBINDING LIPID BINDING PROTEIN
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE CORE OF THE METASTATIC FACTOR P-REX1 AND ITS REGULA PTDINS(3,4,5)P3. STRUCTURE V. 24 730 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5D3X Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 5D3Y Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
3 5D3V - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5D3X Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 5D3Y Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
3 5D3V - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5D3X Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 5D3Y Kd = 440 nM 4IP C6 H16 O18 P4 [C@H]1([C@....
3 5D3V - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 IP5 0.714286 0.965517
5 5IP 0.714286 0.965517
6 5MY 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4IP; 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 : 5D3X; Ligand: 4IP; 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: 5d3x.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5D3X; Ligand: 4IP; 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: 5d3x.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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