Receptor
PDB id Resolution Class Description Source Keywords
1Z0N 1.49 Å EC: 2.-.-.- THE GLYCOGEN-BINDING DOMAIN OF THE AMP-ACTIVATED PROTEIN KINASE RATTUS NORVEGICUS BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR GLYCOGEN RECOGNITION BY AMP-ACTIVATED PROTEIN KINASE. STRUCTURE V. 13 1453 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCD A:1200;
B:2200;
C:3200;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
1134.98 C42 H70 O35 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z0N 1.49 Å EC: 2.-.-.- THE GLYCOGEN-BINDING DOMAIN OF THE AMP-ACTIVATED PROTEIN KINASE RATTUS NORVEGICUS BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR GLYCOGEN RECOGNITION BY AMP-ACTIVATED PROTEIN KINASE. STRUCTURE V. 13 1453 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 1Z0M - BCD C42 H70 O35 C([C@@H]1[....
2 1Z0N - BCD C42 H70 O35 C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 1Z0M - BCD C42 H70 O35 C([C@@H]1[....
2 1Z0N - BCD C42 H70 O35 C([C@@H]1[....
3 4YEE Kd = 0.32 uM 4CQ C48 H80 O40 C([C@@H]1[....
4 4YEF Kd = 4.44 uM 4CQ C48 H80 O40 C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 1Z0M - BCD C42 H70 O35 C([C@@H]1[....
2 1Z0N - BCD C42 H70 O35 C([C@@H]1[....
3 4YEE Kd = 0.32 uM 4CQ C48 H80 O40 C([C@@H]1[....
4 4YEF Kd = 4.44 uM 4CQ C48 H80 O40 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BCD; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 ACX 1 1
3 BCD 1 1
4 4CQ 0.529412 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z0N; Ligand: BCD; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 1z0n.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LR8 IHS 0.0002272 0.43713 None
2 4J4H NAI 0.04029 0.42446 None
3 4J4H 1J1 0.04388 0.41971 None
4 1U1B PAX 0.03704 0.40814 None
5 4RGQ 1GP 0.02368 0.40356 None
6 4D42 NAP 0.02093 0.42196 4.16667
7 4D42 W0I 0.02093 0.42196 4.16667
8 4MBY BGC SIA GAL 0.02026 0.40221 4.16667
9 5A7Y SAH 0.004402 0.43165 5.20833
10 3I7V ATP 0.001918 0.40259 5.20833
11 4M1U A2G MBG 0.0001994 0.45268 6.25
12 1G8K MGD 0.02633 0.42983 7.29167
13 5G5G FAD 0.03273 0.40435 8.33333
14 5GT9 NAP 0.01763 0.42597 17.7083
Pocket No.: 2; Query (leader) PDB : 1Z0N; Ligand: BCD; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 1z0n.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SWG BTN 0.02662 0.41352 2.08333
2 1TMM HHR 0.02474 0.40865 2.08333
3 1TMM APC 0.02587 0.40865 2.08333
4 4P3H 25G 0.03389 0.41368 3.125
5 1X1Z BMP 0.03745 0.42312 6.25
6 3OZG SSI 0.01864 0.40814 6.25
7 2PZM UDP 0.03183 0.40743 6.25
8 2WL5 COA 0.01125 0.40248 6.25
9 5KL0 G16 0.00789 0.42311 7.29167
10 5C8W PCG 0.01671 0.40305 8.33333
11 2V3V MGD 0.01592 0.45899 10.4167
12 5GRF CIT 0.001612 0.45931 11.4583
13 3PY5 AMP 0.02432 0.41648 12.5
14 4EXS X8Z 0.004973 0.42438 16.6667
Pocket No.: 3; Query (leader) PDB : 1Z0N; Ligand: BCD; Similar sites found: 65
This union binding pocket(no: 3) in the query (biounit: 1z0n.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LN9 FLC 0.003753 0.4344 None
2 5EPL 5R0 PHE ALA LEU ELY 5R5 0.008433 0.43204 None
3 5X20 NAD 0.01329 0.41548 None
4 1JJE BYS 0.02151 0.4096 None
5 4ZGS NAD 0.007532 0.4408 2.08333
6 5GM9 CBK 0.01047 0.43314 2.08333
7 3GGO ENO 0.01777 0.42323 2.08333
8 4XB2 HSE 0.02516 0.41861 2.08333
9 4XB2 NDP 0.01907 0.4146 2.08333
10 3OND ADN 0.01198 0.45531 3.125
11 5THQ NDP 0.01907 0.43363 3.125
12 1G0N PHH 0.02934 0.43332 3.125
13 3WQQ IB3 0.02529 0.42447 3.125
14 1G0N NDP 0.04471 0.41404 3.125
15 5FUE UV4 0.01619 0.40838 3.125
16 5JY4 ISC 0.02518 0.40574 4.16667
17 3UVD MB3 0.009305 0.40192 4.16667
18 3O5N BR0 0.004036 0.41467 4.46429
19 5MSO NAP 0.007913 0.44364 5.20833
20 4EIP FAD 0.0279 0.42422 5.20833
21 4EIP K2C 0.0279 0.42422 5.20833
22 4XVX P33 FDA 0.02942 0.41819 5.20833
23 1M7G ADP 0.0376 0.41266 5.20833
24 4XVX P6G FDA 0.04011 0.40716 5.20833
25 4ZTE 4RL 0.007279 0.43669 6.25
26 4B7P 9UN 0.03202 0.42418 6.25
27 4P5Z Q7M 0.02858 0.41927 6.25
28 2AE2 NAP 0.0147 0.44234 7.29167
29 2AE2 PTO 0.0147 0.44234 7.29167
30 5J75 6GQ 0.02089 0.41513 7.29167
31 5GXU FMN 0.01879 0.41418 7.29167
32 1MI3 NAD 0.04233 0.40719 7.29167
33 4MO4 ACP 0.0362 0.40362 7.29167
34 5CUQ NSC 0.005268 0.46635 8.33333
35 4J1Q NDP 0.008018 0.42915 8.33333
36 5L4S NAP 0.03192 0.4249 8.33333
37 5L4S 6KX 0.03192 0.4249 8.33333
38 4ZH7 FUC GAL NAG GAL FUC 0.01464 0.4185 8.33333
39 4AMW 5DI 0.002161 0.40294 8.33333
40 4I53 1C1 0.02374 0.40159 8.33333
41 5T0B SIA GAL NAG 0.02278 0.40046 8.33333
42 5AYV KPL 0.006405 0.45784 9.375
43 4CQE CQE 0.01971 0.42339 9.375
44 3D3W NAP 0.02606 0.41583 10.4167
45 1EN2 NAG NAG NAG NAG 0.002109 0.43938 11.236
46 4X9M FAD 0.02025 0.42828 11.4583
47 5FJN BE2 0.03305 0.42561 11.4583
48 5FJN FAD 0.0302 0.42561 11.4583
49 1UWK NAD 0.0448 0.41407 11.4583
50 4D3F NAP 0.01434 0.41386 11.4583
51 5W0N UPU 0.01617 0.40174 11.4583
52 4ZLA BES 0.02096 0.40717 13.5417
53 4J7U YTZ 0.04734 0.41687 14.5833
54 4J7U NAP 0.04734 0.41687 14.5833
55 4U7W NDP 0.02733 0.41242 14.5833
56 4YNU FAD 0.04622 0.40299 14.5833
57 5BV6 35G 0.01456 0.41253 15.625
58 4I54 1C1 0.006031 0.45757 16.6667
59 1ZMT RNO 0.01649 0.4278 16.6667
60 4MFZ MFK 0.009828 0.43508 19.7917
61 5M67 NAD 0.02421 0.44161 21.875
62 5M67 3D1 0.0244 0.43186 21.875
63 1JG3 VAL TYR PRO IAS HIS ALA 0.006211 0.41752 21.875
64 5VFC 9BA 0.03229 0.40388 26.0417
65 5ALC TIQ 0.04659 0.40093 27.0833
Feedback