Receptor
PDB id Resolution Class Description Source Keywords
1I7E 1.95 Å NON-ENZYME: SIGNAL_HORMONE C-TERMINAL DOMAIN OF MOUSE BRAIN TUBBY PROTEIN BOUND TO PHOSPHATIDYLINOSITOL 4,5-BIS-PHOSPHATE MUS MUSCULUS TUBBY FILLED-BARREL BETA-BARREL FILLED-BETA-ROLL 12- STRANDED-BETA-BARREL HELIX-FILLED-BARREL OBESITY BLINDNESS DEAFNESS PHOSPHOINOSITIDE PHOSPHATIDYLINOSITOL SIGNALING PROTEIN
Ref.: G-PROTEIN SIGNALING THROUGH TUBBY PROTEINS. SCIENCE V. 292 2041 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IBS A:2001;
Valid;
none;
submit data
492.158 C9 H19 O17 P3 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I7E 1.95 Å NON-ENZYME: SIGNAL_HORMONE C-TERMINAL DOMAIN OF MOUSE BRAIN TUBBY PROTEIN BOUND TO PHOSPHATIDYLINOSITOL 4,5-BIS-PHOSPHATE MUS MUSCULUS TUBBY FILLED-BARREL BETA-BARREL FILLED-BETA-ROLL 12- STRANDED-BETA-BARREL HELIX-FILLED-BARREL OBESITY BLINDNESS DEAFNESS PHOSPHOINOSITIDE PHOSPHATIDYLINOSITOL SIGNALING PROTEIN
Ref.: G-PROTEIN SIGNALING THROUGH TUBBY PROTEINS. SCIENCE V. 292 2041 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1I7E - IBS C9 H19 O17 P3 C(C(=O)CO[....
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 1I7E - IBS C9 H19 O17 P3 C(C(=O)CO[....
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 1I7E - IBS C9 H19 O17 P3 C(C(=O)CO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IBS; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 IBS 1 1
2 I3S 0.511111 0.789474
3 I3P 0.511111 0.789474
4 PBU 0.450704 0.787234
5 I0P 0.413043 0.763158
6 PIO 0.405063 0.74
7 52N 0.405063 0.74
8 13P 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I7E; Ligand: IBS; Similar sites found: 108
This union binding pocket(no: 1) in the query (biounit: 1i7e.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3H22 B53 0.03819 0.40372 None
2 4MUV PCG 0.02333 0.40198 None
3 1SU2 ATP 0.0165 0.40758 1.25786
4 3WVR AMP 0.009179 0.42146 1.50943
5 4PLG NAI 0.0351 0.41497 1.50943
6 5GLT BGC GAL NAG GAL 0.002504 0.40697 1.50943
7 1SOW NAD 0.03176 0.41227 1.88679
8 5HCA BGC 0.004376 0.40558 1.88679
9 2WT2 GAL NAG GAL NAG GAL NAG 0.03213 0.40412 1.88679
10 2QZ3 XYP XYP XYP 0.0329 0.40005 2.16216
11 3ZXE PGZ 0.009751 0.4072 2.25564
12 4AZW ATP 0.002354 0.46045 2.26415
13 2R7K AMZ 0.01852 0.41824 2.26415
14 4AZT LY2 0.01264 0.41107 2.26415
15 3NK7 SAM 0.02608 0.40366 2.26415
16 5IH9 6BF 0.04743 0.40218 2.26415
17 5GM9 CBK 0.02564 0.41035 2.34742
18 4RFR RHN 0.03029 0.40064 2.46305
19 1ZM1 BGC BGC BGC 0.006786 0.42464 2.48963
20 4ME6 ADP 0.00302 0.43106 2.64151
21 5UI2 EQ3 0.02898 0.42066 2.64151
22 2Q4W FAD 0.03076 0.41742 2.64151
23 1XVV CCQ 0.03731 0.41387 2.64151
24 1M0W ANP 0.01283 0.41154 2.64151
25 5IQD GNP 0.04183 0.40955 2.64151
26 5IQD RIO 0.04347 0.40955 2.64151
27 2QK4 ATP 0.01092 0.40835 2.64151
28 5F3I 5UJ 0.0394 0.40184 2.64151
29 5J75 6GQ 0.006303 0.42711 2.65152
30 2X61 CH 0.01713 0.40316 2.71318
31 3AKK ADP 0.005319 0.4391 3.01887
32 3V4S ATP 0.008014 0.43174 3.01887
33 5BNW 12V 0.02093 0.42337 3.01887
34 4GYW UDP 0.02235 0.42109 3.01887
35 3AMN CBK 0.02678 0.40813 3.01887
36 5ML3 DL3 0.01626 0.43432 3.3557
37 3WG3 A2G GAL NAG FUC 0.006241 0.41404 3.37079
38 1GQG DCD 0.00131 0.47576 3.39623
39 3PE2 E1B 0.009359 0.45331 3.39623
40 2Q4H AMP 0.02879 0.40636 3.39623
41 5LXC 7AA 0.02141 0.4009 3.39623
42 5CJ3 52G 0.03309 0.40907 3.7037
43 3L9W AMP 0.02037 0.42291 3.77358
44 4YZC STU 0.03597 0.41006 3.77358
45 1WLE SRP 0.02049 0.40629 3.77358
46 1H5Q NAP 0.04278 0.40104 3.77358
47 3L9W GSH 0.04477 0.40054 3.77358
48 3JRS A8S 0.0172 0.41213 3.84615
49 5JSP DQY 0.005647 0.41979 3.9801
50 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 0.009681 0.42142 4.14938
51 2XMY CDK 0.01402 0.45622 4.15094
52 4BCM T7Z 0.007924 0.42775 4.15094
53 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.03522 0.41645 4.15094
54 1OFD FMN 0.03238 0.41624 4.15094
55 1OFD AKG 0.0298 0.41624 4.15094
56 4BCQ TJF 0.01089 0.41146 4.15094
57 3W68 VIV 0.02256 0.4087 4.15094
58 1WF3 GNP 0.0277 0.40714 4.15094
59 4MBY BGC SIA GAL 0.01442 0.40318 4.15094
60 2E56 MYR 0.004084 0.46228 4.16667
61 5DQ8 FLF 0.008724 0.43352 4.16667
62 1J3R 6PG 0.008569 0.41638 4.21053
63 4MNS 2AX 0.02144 0.43378 4.40252
64 3FW9 SLX 0.0131 0.4169 4.5283
65 1NLU IVA PHI TYB 0.0129 0.41342 4.5283
66 1GV0 NAD 0.03484 0.40845 4.5283
67 5COU ATP 0.01908 0.40655 4.5283
68 1ZZ7 S0H 0.01137 0.407 4.54545
69 3D91 REM 0.02088 0.44199 4.90566
70 1TFZ 869 0.02287 0.40488 4.90566
71 3WV6 GAL BGC 0.01006 0.40316 4.90566
72 1NYW DAU 0.02258 0.40393 5.07614
73 1YY5 FAD 0.04333 0.41571 5.28302
74 1MJJ HAL 0.02941 0.40645 5.93607
75 1N2X SAM 0.02756 0.4081 6.03774
76 3SAO NKN 0.006008 0.42601 6.25
77 4ZH7 FUC GAL NAG GAL FUC 0.00505 0.42414 6.41509
78 3AYI FAD 0.04524 0.4204 6.79245
79 3AYI HCI 0.04642 0.4204 6.79245
80 3QRC SCR 0.00215 0.41917 7.00637
81 1GP6 SIN 0.01549 0.42109 7.16981
82 1GP6 QUE 0.01644 0.42109 7.16981
83 2V7O DRN 0.009615 0.41281 7.16981
84 4MP8 NAD 0.04954 0.41002 7.16981
85 4QCK ASD 0.01814 0.40375 7.16981
86 3O9L LPN 0.04139 0.41161 7.83133
87 2Q2Y ADP 0.02022 0.43024 7.92453
88 2Q2Y MKR 0.01945 0.43024 7.92453
89 5BZ4 COA 0.01126 0.42364 7.92453
90 5I0U DCY 0.003514 0.43962 8
91 2OO8 RAJ 0.02766 0.40152 8.67924
92 4K55 H6P 0.002438 0.40889 8.87097
93 1I82 BGC BGC 0.0106 0.40103 8.99471
94 2FLI DX5 0.02284 0.40532 9.09091
95 5JNN 6LM 0.01451 0.41899 9.47368
96 5H9P TD2 0.008567 0.412 9.49367
97 1G3M PCQ 0.04107 0.41239 9.81132
98 2QO4 CHD 0.01772 0.42395 10.3175
99 2BKK ADP 0.01852 0.40328 10.6509
100 3ETH ATP 0.001994 0.46486 10.9434
101 2YG2 S1P 0.01877 0.41698 11.6279
102 2YG2 FLC 0.0244 0.41528 11.6279
103 4WVW SLT 0.002226 0.43013 11.8056
104 2R85 AMP 0.01676 0.42705 12.0755
105 3M3R BCD 0.03087 0.42066 12.0755
106 1MDC PLM 0.01177 0.42424 12.1212
107 1ZB6 GST 0.02929 0.40997 12.8302
108 4HIA FMN 0.04272 0.41072 20.4545
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