Receptor
PDB id Resolution Class Description Source Keywords
1FAO 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM DAPP1/PHISH IN COMPLEX WITH INOSITOL 1,3,4,5- T ETRAKISPHOSPHATE HOMO SAPIENS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN ADAPTOR PROTEIN SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINOSITIDES 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
4IP A:274;
Valid;
none;
Kd = 0.043 uM
500.075 C6 H16 O18 P4 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FAO 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM DAPP1/PHISH IN COMPLEX WITH INOSITOL 1,3,4,5- T ETRAKISPHOSPHATE HOMO SAPIENS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN ADAPTOR PROTEIN SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINOSITIDES BY PLECKSTRIN HOMOLOGY DOMAINS. MOL.CELL V. 6 373 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1FAO Kd = 0.043 uM 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 196 families.
1 1FAO Kd = 0.043 uM 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 171 families.
1 1FAO Kd = 0.043 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands
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 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FAO; Ligand: 4IP; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 1fao.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.001133 0.45388 None
2 2XBP ATP 0.01121 0.43354 None
3 3SJK LYS PRO VAL LEU ARG THR ALA 0.001938 0.44906 1.5873
4 4J4H NAI 0.04701 0.41479 2.38095
5 4J4H 1J1 0.04701 0.41479 2.38095
6 5A5W GUO 0.04391 0.41075 2.38095
7 4DE9 VTP 0.03591 0.40644 2.38095
8 4BVA T3 0.03441 0.41573 2.38806
9 4CO3 ATP 0.01051 0.4324 2.67857
10 1PVS 7HP 0.01458 0.41673 3.1746
11 1GQG DCD 0.023 0.40735 3.1746
12 3Q60 ATP 0.01875 0.40319 3.1746
13 1EBG PAH 0.01862 0.4071 3.96825
14 3BOF HCS 0.01143 0.40541 3.96825
15 5W4W 9WG 0.01357 0.4291 4.7619
16 4WUJ FMN 0.01154 0.41772 4.7619
17 4G1V FAD 0.02885 0.40913 4.7619
18 4WNK 453 0.03448 0.40621 4.7619
19 2W5P CL8 0.01231 0.40268 4.7619
20 3IO3 ADP 0.01849 0.40146 4.7619
21 1OQC FAD 0.02426 0.4091 4.8
22 4IPH 1FJ 0.02952 0.40462 4.87805
23 2X4Z X4Z 0.03228 0.41229 5.55556
24 5D3X 4IP 0.0001942 0.48449 7.14286
25 1B55 4IP 0.00002036 0.48062 7.14286
26 2Q7D ANP 0.004959 0.44671 7.14286
27 5FLJ QUE 0.01474 0.41577 7.14286
28 1FDJ 2FP 0.01018 0.41223 7.14286
29 4I42 1HA 0.03212 0.40787 7.14286
30 5A0R ACE GLU VAL ASN PRO 0.00233 0.46542 7.93651
31 1ZM1 BGC BGC BGC 0.01623 0.40635 7.93651
32 5O4J PJL 0.04677 0.40349 8.73016
33 5GXU FAD 0.01126 0.43084 9.52381
34 4I54 1C1 0.01786 0.42273 9.52381
35 5C03 AGS 0.009525 0.42006 9.52381
36 4J7U YTZ 0.04009 0.41553 9.52381
37 4J7U NAP 0.04009 0.41553 9.52381
38 5KF6 NAD 0.03395 0.41001 10.3175
39 4QIJ 1HA 0.03835 0.43653 11.1111
40 4EU7 CIT 0.04784 0.40779 11.9048
41 4EU7 COA 0.04606 0.40779 11.9048
42 5UR1 YY9 0.01127 0.4334 13.4921
43 5UIU 8CG 0.0188 0.42273 13.4921
44 3UDG TMP 0.008409 0.41818 15.873
45 2CUN 3PG 0.02355 0.40574 16.6667
46 3C6K MTA 0.03629 0.41255 18.254
47 3C6K SPD 0.03629 0.41255 18.254
48 1W1G 4PT 0.000005776 0.58481 19.0476
49 3OZV ECN 0.02314 0.43292 19.0476
50 3LJU IP9 0.00000775 0.55229 22.2222
51 4KAX 4IP 0.000000001591 0.7343 31.746
52 2R09 4IP 0.000000001863 0.73099 31.746
53 2R0D 4IP 0.000000001535 0.70411 31.746
54 5C79 PBU 0.0004397 0.47923 31.746
55 5UKL SIX 0.01794 0.41878 34.9206
56 3AJ4 SEP 0.00008982 0.42905 36.6071
57 2I5F 5IP 0.0000003354 0.55771 38.5321
58 1U29 I3P 0.0000003132 0.62322 39.6825
59 1UNQ 4IP 0.0000115 0.55284 44.8
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