-->
Receptor
PDB id Resolution Class Description Source Keywords
1BTN 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN MUS MUSCULUS SIGNAL TRANSDUCTION PROTEIN
Ref.: STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN. EMBO J. V. 14 4676 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:107;
Valid;
none;
Kd = 40 uM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BTN 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN MUS MUSCULUS SIGNAL TRANSDUCTION PROTEIN
Ref.: STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN. EMBO J. V. 14 4676 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1BTN Kd = 40 uM I3P C6 H15 O15 P3 [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 209 families.
1 1BTN Kd = 40 uM I3P C6 H15 O15 P3 [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 174 families.
1 1BTN Kd = 40 uM I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 IP5 0.6 0.933333
11 I5P 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 IHP 0.481481 0.933333
16 I6P 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BTN; Ligand: I3P; Similar sites found with APoc: 23
This union binding pocket(no: 1) in the query (biounit: 1btn.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 2CFC NAD None
2 3HF3 FMN None
3 3IWD M2T None
4 5APG EEM 2.83019
5 6F97 FAD 3.77358
6 4KBA 1QM 3.77358
7 4HXY NDP 3.77358
8 6CI9 NAP 3.77358
9 2HSA FMN 4.71698
10 5EO8 TFU 4.71698
11 3ATY FMN 5.66038
12 6AMI TRP 5.66038
13 3KRU FMN 6.60377
14 5GT9 NAP 6.60377
15 6EL3 NAP 6.60377
16 1OFZ FUL 7.54717
17 4RQL SNE 7.54717
18 5YEC ATP 8.49057
19 2II3 CAO 9.43396
20 2AE2 NAP 9.43396
21 2AE2 PTO 9.43396
22 4D52 GXL 11.3208
23 1V59 NAD 19.8113
Pocket No.: 2; Query (leader) PDB : 1BTN; Ligand: I3P; 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: 1btn.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback