Receptor
PDB id Resolution Class Description Source Keywords
1FHW 1.9 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL(1,3,4,5,6)PENTAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I5P A:1001;
B:1002;
 Valid;
Valid;
 none;
none;
 Kd = 0.33 uM
580.055 C6 H17 O21 P5 C1([C...
SO4 B:2001;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FHW 1.9 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL(1,3,4,5,6)PENTAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
2 1FGY - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1U27 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1U29 - I3P C6 H15 O15 P3 [C@H]1([C@....
3 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
4 1FGY - 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1U27 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1U29 - I3P C6 H15 O15 P3 [C@H]1([C@....
3 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
4 1FGY - 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I5P; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 I5P 1 1
2 5IP 1 1
3 5MY 1 1
4 IP5 1 1
5 I4P 0.782609 1
6 I0P 0.730769 0.965517
7 4IP 0.714286 0.965517
8 I6P 0.652174 1
9 IHP 0.652174 1
10 I3P 0.6 0.933333
11 I3S 0.6 0.933333
12 IP2 0.571429 0.933333
13 ITP 0.533333 0.933333
14 2IP 0.5 0.933333
15 I8P 0.454545 0.965517
16 2YN 0.454545 0.965517
17 I7P 0.454545 0.965517
18 O81 0.454545 0.965517
19 I4D 0.451613 0.9
20 5A2 0.428571 0.8
21 4WZ 0.428571 0.8
22 5A3 0.428571 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: I5P; 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 : 1FHW; Ligand: I5P; 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: 1fhw.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FHW; Ligand: I5P; 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: 1fhw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FHW; Ligand: I5P; 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: 1fhw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1fhw.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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