Receptor
PDB id Resolution Class Description Source Keywords
3LJU 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FULL LENGTH CENTAURIN ALPHA-1 BOUND WIT GROUP OF PIP3 HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM GAP GTPASE ACTIVATION SGCBINDING NUCLEUS PHOSPHOPROTEIN ZINC-FINGER HYDROLASE AC
Ref.: PHOSPHORYLATION-INDEPENDENT DUAL-SITE BINDING OF TH DOMAIN OF KIF13 MEDIATES PHOSPHOINOSITIDE TRANSPORT CENTAURIN ALPHA1. PROC.NATL.ACAD.SCI.USA V. 107 20346 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IP9 X:371;
X:372;
Valid;
Valid;
none;
none;
submit data
826.546 C25 H50 O22 P4 CCCCC...
ZN X:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LJU 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FULL LENGTH CENTAURIN ALPHA-1 BOUND WIT GROUP OF PIP3 HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM GAP GTPASE ACTIVATION SGCBINDING NUCLEUS PHOSPHOPROTEIN ZINC-FINGER HYDROLASE AC
Ref.: PHOSPHORYLATION-INDEPENDENT DUAL-SITE BINDING OF TH DOMAIN OF KIF13 MEDIATES PHOSPHOINOSITIDE TRANSPORT CENTAURIN ALPHA1. PROC.NATL.ACAD.SCI.USA V. 107 20346 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3LJU - IP9 C25 H50 O22 P4 CCCCCCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IP9; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 IP9 1 1
2 PIZ 0.985507 1
3 PIO 0.863014 0.979592
4 52N 0.863014 0.979592
5 PIF 0.821918 0.979592
6 PII 0.77027 0.959184
7 B7N 0.707317 0.94
8 PBU 0.641026 0.918367
9 3PH 0.616438 0.875
10 F57 0.616438 0.875
11 LPP 0.616438 0.875
12 6PH 0.616438 0.875
13 7PH 0.616438 0.875
14 T7X 0.615385 0.94
15 7P9 0.608108 0.875
16 CD4 0.602564 0.836735
17 PIB 0.6 0.918367
18 5P5 0.6 0.918367
19 PEF 0.594937 0.706897
20 PEV 0.594937 0.706897
21 PEH 0.594937 0.706897
22 PTY 0.594937 0.706897
23 8PE 0.594937 0.706897
24 PA8 0.594595 0.816327
25 LIO 0.592593 0.655738
26 HGX 0.592593 0.655738
27 P5S 0.592593 0.719298
28 PX4 0.592593 0.655738
29 PLD 0.592593 0.655738
30 6PL 0.592593 0.655738
31 HGP 0.592593 0.655738
32 PC7 0.592593 0.655738
33 DB4 0.589744 0.918367
34 PD7 0.589041 0.875
35 PGT 0.5875 0.803922
36 9PE 0.5875 0.706897
37 LHG 0.5875 0.803922
38 PEE 0.5875 0.694915
39 PX8 0.586667 0.816327
40 PX2 0.586667 0.816327
41 XP5 0.567901 0.655738
42 D21 0.567901 0.857143
43 4PT 0.564706 0.9
44 L9Q 0.551724 0.694915
45 LOP 0.551724 0.694915
46 6OU 0.551724 0.694915
47 PCW 0.550562 0.645161
48 PIE 0.549451 0.882353
49 M7U 0.548781 0.875
50 CN3 0.546512 0.836735
51 D3D 0.545455 0.788462
52 PGW 0.545455 0.788462
53 44E 0.540541 0.875
54 DR9 0.539326 0.788462
55 PGV 0.539326 0.788462
56 P6L 0.533333 0.788462
57 TGL 0.528571 0.604167
58 P50 0.527473 0.719298
59 OZ2 0.527473 0.788462
60 HXG 0.52439 0.655738
61 PSF 0.52439 0.719298
62 CN6 0.523256 0.836735
63 ZPE 0.522222 0.694915
64 PCK 0.521739 0.625
65 44G 0.518519 0.803922
66 CDL 0.518072 0.76
67 PGK 0.516484 0.759259
68 DGG 0.516129 0.826923
69 PCF 0.511628 0.616667
70 PC1 0.511628 0.616667
71 MC3 0.511628 0.616667
72 PSC 0.510417 0.645161
73 3PE 0.505882 0.637931
74 GP7 0.505263 0.694915
75 PEK 0.484211 0.694915
76 3PI 0.482759 0.918367
77 AGA 0.482759 0.769231
78 POV 0.478723 0.606557
79 L9R 0.478723 0.606557
80 PDK 0.475728 0.621212
81 DDR 0.460526 0.612245
82 L2C 0.460526 0.612245
83 FAW 0.460526 0.612245
84 1EM 0.460526 0.612245
85 DGA 0.460526 0.612245
86 1O2 0.459184 0.672727
87 3TF 0.454545 0.672727
88 DGD 0.454545 0.690909
89 P3A 0.453608 0.754717
90 EPH 0.442308 0.694915
91 SQD 0.4375 0.703125
92 DLP 0.425743 0.606557
93 1L2 0.424528 0.672727
94 GGD 0.418182 0.678571
95 NKN 0.4125 0.836735
96 NKO 0.4125 0.836735
97 LAP 0.404494 0.66129
98 LPC 0.404494 0.66129
99 LP3 0.404494 0.66129
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LJU; Ligand: IP9; 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: 3lju.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LJU; Ligand: IP9; 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: 3lju.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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