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 263 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 355 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 272 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
Ligand no: 1; Ligand: I5P; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 I5P 1 1
2 5IP 1 1
3 IP5 1 1
4 5MY 1 1
5 I4P 0.782609 1
6 I0P 0.730769 0.965517
7 4IP 0.714286 0.965517
8 IHP 0.652174 1
9 I6P 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 I7P 0.454545 0.965517
16 I8P 0.454545 0.965517
17 2YN 0.454545 0.965517
18 I4D 0.451613 0.9
19 5A3 0.428571 0.8
20 5A2 0.428571 0.8
21 4WZ 0.428571 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 1fhw.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UM0 FMN 0.03733 0.40104 7.75194
2 2NZ5 226 0.009603 0.40706 8.52713
3 2BRY FAD 0.02908 0.41615 9.30233
4 2C42 PYR 0.0376 0.40642 9.30233
5 1W1G 4PT 0.000009606 0.52937 11.6279
6 4CQK PIO 0.003886 0.42534 12.766
7 1UA4 BGC 0.005309 0.40375 13.9535
8 1UA4 GLC 0.005309 0.40375 13.9535
9 3LJU IP9 0.00007559 0.52334 21.7054
10 5D3X 4IP 0.0001657 0.49412 32.3353
11 3AJ4 SEP 0.0005847 0.40965 39.2857
12 1UNQ 4IP 0.0001925 0.48876 44
Pocket No.: 2; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 1fhw.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HCH RSM 0.004185 0.42374 2.32558
2 1UW1 ADP 0.007642 0.41286 3.75
3 2Q2V NAD 0.02926 0.41239 7.75194
4 4USI ATP 0.02447 0.40438 10.8527
Pocket No.: 3; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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