Receptor
PDB id Resolution Class Description Source Keywords
3UP3 1.25 Å NON-ENZYME: BINDING NUCLEAR RECEPTOR DAF-12 FROM HOOKWORM ANCYLOSTOMA CEYLANICUM COMPLEX WITH (25S)-CHOLESTENOIC ACID ANCYLOSTOMA CEYLANICUM LIGAND BINDING DOMAIN NEMATODE STEROID BINDING PROTEIN- TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL CONSERVATION OF LIGAND BINDING REVEALS A ACID-LIKE SIGNALING PATHWAY IN NEMATODES. J.BIOL.CHEM. V. 287 4894 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:200;
A:300;
A:400;
A:686;
A:687;
A:700;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
XCA A:100;
Valid;
none;
submit data
414.621 C27 H42 O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UP3 1.25 Å NON-ENZYME: BINDING NUCLEAR RECEPTOR DAF-12 FROM HOOKWORM ANCYLOSTOMA CEYLANICUM COMPLEX WITH (25S)-CHOLESTENOIC ACID ANCYLOSTOMA CEYLANICUM LIGAND BINDING DOMAIN NEMATODE STEROID BINDING PROTEIN- TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL CONSERVATION OF LIGAND BINDING REVEALS A ACID-LIKE SIGNALING PATHWAY IN NEMATODES. J.BIOL.CHEM. V. 287 4894 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA C27 H42 O3 C[C@H](CCC....
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 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA C27 H42 O3 C[C@H](CCC....
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 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA C27 H42 O3 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XCA; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 XCA 1 1
2 DL4 0.556701 0.926829
3 CLR 0.46 0.829268
4 Y01 0.454545 0.883721
5 HC3 0.427184 0.902439
6 K2B 0.421569 0.756098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UP3; Ligand: XCA; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 3up3.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UC9 MYR 0.001168 0.47019 1.32743
2 3KP6 SAL 0.01861 0.41097 1.98676
3 3LXI CAM 0.02957 0.40432 2.46914
4 3X01 AMP 0.03001 0.40307 2.46914
5 4RW3 TDA 0.01436 0.44664 2.88066
6 1TV5 N8E 0.03426 0.40636 2.88066
7 1Q0H FOM 0.01723 0.40194 2.88066
8 5DCH 1YO 0.03212 0.40349 3.64583
9 5H9O GLC 0.0308 0.4028 3.7037
10 4XWM CBI 0.01909 0.4159 4.93827
11 1RL4 BL5 0.02586 0.42427 5.31915
12 5UNJ RJW 0.0002089 0.48422 5.34979
13 5HCV 60R 0.004449 0.40904 5.34979
14 1YUC EPH 0.004113 0.40891 5.34979
15 3NFZ 3NF 0.01383 0.4078 5.34979
16 5L7G 6QE 0.003766 0.40244 5.34979
17 5E13 5J9 0.025 0.40821 5.59006
18 2FDW D3G 0.01074 0.42151 7.81893
19 4QJR PIZ 0.003882 0.40843 8.23045
20 4YSX E23 0.005875 0.43974 9.0535
21 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04145 0.40442 10.2041
22 3KMZ EQO 0.0000687 0.48216 10.2881
23 3KMR EQN 0.001488 0.43673 10.2881
24 2LBD REA 0.0008612 0.43355 10.2881
25 4DM8 REA 0.001123 0.42309 10.2881
26 1FCZ 156 0.002195 0.41529 10.6383
27 4ZOM 4Q3 0.01128 0.42532 11.5556
28 3KFC 61X 0.0002549 0.46665 12.3457
29 2R40 20E 0.0004045 0.43962 12.7572
30 3VRV YSD 0.0001121 0.49952 13.1687
31 1DB1 VDX 0.0005092 0.45399 13.1687
32 5GIC DLC 0.003762 0.41338 13.1687
33 2O4J VD4 0.001159 0.41302 13.1687
34 5E7V M7E 0.0006423 0.44534 13.9918
35 4Q0A 4OA 0.0009488 0.44532 13.9918
36 5LGA 6VH 0.0001502 0.41402 13.9918
37 4S00 AKR 0.03075 0.4037 14.4033
38 1U3R 338 0.006995 0.4106 14.5228
39 2YJD YJD 0.01139 0.40447 14.5833
40 4S15 4D8 0.004166 0.41024 14.8148
41 1NQ7 ARL 0.001734 0.42998 15.2263
42 5DX3 EST 0.0008121 0.46704 15.6379
43 4MG8 27J 0.0009653 0.45845 15.6379
44 4TUZ 36J 0.001264 0.45781 15.6379
45 5DXG EST 0.001282 0.45751 15.6379
46 5HYR EST 0.001299 0.45241 15.6379
47 5DXE EST 0.001492 0.44957 15.6379
48 4MGD 27N 0.002535 0.43876 15.6379
49 4MG7 27H 0.0006637 0.41331 15.6379
50 4MGB XDH 0.0008595 0.40899 15.6379
51 3UUA 0CZ 0.02267 0.40109 15.6379
52 3UUD EST 0.0009742 0.40017 15.6379
53 2QE4 JJ3 0.00353 0.43589 16.0494
54 1PZL MYR 0.002776 0.42865 16.8776
55 3BEJ MUF 0.0005266 0.43662 20.1681
56 1DZK PRZ 0.01608 0.401 26.7516
57 3FAL LO2 0.0001332 0.47699 28.8066
58 5MES 7LT 0.006804 0.42267 29.0123
59 3IPQ 965 0.00001785 0.45961 29.6296
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