Receptor
PDB id Resolution Class Description Source Keywords
2P0D 1.81 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,4,5)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAIN LIGAND BINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:800;
Valid;
none;
submit data
420.096 C6 H15 O15 P3 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P0D 1.81 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,4,5)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAIN LIGAND BINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [C@H]1([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - 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 5MY 0.6 0.933333
10 IP5 0.6 0.933333
11 5IP 0.6 0.933333
12 I5P 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P0D; Ligand: I3P; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 2p0d.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GXW SIN 0.0003857 0.44401 None
2 5ABX MGP 0.002684 0.42144 None
3 1JBW ACQ 0.04825 0.41539 None
4 1EJH M7G 0.0007376 0.43507 2.32558
5 3DPC HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.01702 0.42228 2.32558
6 3M6P BB2 0.004202 0.41627 2.32558
7 1EBF NAD 0.01298 0.44776 3.10078
8 4AR8 IP8 GLY PRO ALA 0.01762 0.43948 3.10078
9 4CSS CWX 0.01146 0.42502 3.10078
10 1R6D NAD 0.03798 0.40835 3.87597
11 1AMU AMP 0.003289 0.40397 3.87597
12 5AHO TLA 0.004433 0.45482 4.65116
13 1VB3 KPA 0.005246 0.43679 4.65116
14 3ZNN FAD 0.03543 0.43019 4.65116
15 4CS4 ANP 0.01415 0.41639 4.65116
16 4CS4 AXZ 0.01707 0.41639 4.65116
17 4ZLA BES 0.02194 0.40491 4.65116
18 1UP7 NAD 0.002094 0.40035 4.65116
19 1NBU PH2 0.00793 0.40605 5.04202
20 1WLE SRP 0.002536 0.45955 5.42636
21 5JFL NAD 0.01761 0.41903 5.42636
22 1UWK NAD 0.03209 0.40786 5.42636
23 4MFL MFK 0.04047 0.40627 5.42636
24 1GS5 NLG 0.04027 0.4016 5.42636
25 1VAY AZA 0.02005 0.40049 5.42636
26 1HXD BTN 0.002494 0.45295 6.20155
27 5BXV MGP 0.001396 0.40485 6.81818
28 4UEC MGT 0.0008077 0.48577 7.69231
29 5T48 MGP 0.003254 0.40773 7.8125
30 5C1P ADP 0.002815 0.43549 8.52713
31 5NTD BES 0.01054 0.43379 8.52713
32 3NDJ JHZ 0.02931 0.41529 8.52713
33 5M67 3D1 0.01415 0.44565 9.30233
34 5M67 ADE 0.01383 0.44322 9.30233
35 2D1S SLU 0.00321 0.43672 9.30233
36 1KNR FAD 0.03052 0.4259 9.30233
37 2GRU EXO 0.004075 0.42439 10.0775
38 4JBI NDP 0.03173 0.40922 10.0775
39 3NJ4 AFX 0.02699 0.44191 10.8527
40 3NJ4 NAD 0.02699 0.44191 10.8527
41 5GQX GLC GLC GLC GLC GLC GLC GLC 0.01514 0.42793 10.8527
42 1RVX SIA GAL NAG 0.03074 0.41398 10.8527
43 2PZM NAD 0.009249 0.41252 12.4031
44 2PZM UDP 0.009249 0.41252 12.4031
45 4TM3 FAD 0.01557 0.42906 14.7287
46 4WAS COO 0.006102 0.42325 19.3798
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