Receptor
PDB id Resolution Class Description Source Keywords
3AJM 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PROGRAMMED CELL DEATH 10 IN COMPLEX WIT 1,3,4,5-TETRAKISPHOSPHATE HOMO SAPIENS ADAPTOR PROTEIN DIMERIZATION FOUR-HELIX BUNDLE APOPTOSIS
Ref.: CRYSTAL STRUCTURE OF HUMAN PROGRAMMED CELL DEATH 10 COMPLEXED WITH INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE ADAPTOR PROTEIN INVOLVED IN HUMAN CEREBRAL CAVERNOU MALFORMATION. BIOCHEM.BIOPHYS.RES.COMMUN. V. 399 587 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1;
 Valid;
 none;
 submit data
500.075 C6 H16 O18 P4 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AJM 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PROGRAMMED CELL DEATH 10 IN COMPLEX WIT 1,3,4,5-TETRAKISPHOSPHATE HOMO SAPIENS ADAPTOR PROTEIN DIMERIZATION FOUR-HELIX BUNDLE APOPTOSIS
Ref.: CRYSTAL STRUCTURE OF HUMAN PROGRAMMED CELL DEATH 10 COMPLEXED WITH INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE ADAPTOR PROTEIN INVOLVED IN HUMAN CEREBRAL CAVERNOU MALFORMATION. BIOCHEM.BIOPHYS.RES.COMMUN. V. 399 587 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3AJM - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3AJM - 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3AJM - 4IP C6 H16 O18 P4 [C@H]1([C@....
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 : 3AJM; 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: 3ajm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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