Receptor
PDB id Resolution Class Description Source Keywords
4DOL 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA FATTY-ACID BINDING AT1G53520 (ATFAP3) ARABIDOPSIS THALIANA CHALCONE-ISOMERASE LIKE FOLD FATTY-ACID BINDING ISOMERASE
Ref.: EVOLUTION OF THE CHALCONE-ISOMERASE FOLD FROM FATTY BINDING TO STEREOSPECIFIC CATALYSIS. NATURE V. 485 530 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:301;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DOL 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA FATTY-ACID BINDING AT1G53520 (ATFAP3) ARABIDOPSIS THALIANA CHALCONE-ISOMERASE LIKE FOLD FATTY-ACID BINDING ISOMERASE
Ref.: EVOLUTION OF THE CHALCONE-ISOMERASE FOLD FROM FATTY BINDING TO STEREOSPECIFIC CATALYSIS. NATURE V. 485 530 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4DOL - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4DOL - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4DOL - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DOL; Ligand: PLM; Similar sites found: 58
This union binding pocket(no: 1) in the query (biounit: 4dol.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YOK P6L 0.006697 0.42612 None
2 1YUC EPH 0.004333 0.42158 None
3 1ZDU P3A 0.005121 0.41984 None
4 5U9J GER 0.0188 0.40506 None
5 1N8V BDD 0.01648 0.40435 None
6 1YMT DR9 0.009011 0.41151 1.38249
7 1K7L 544 0.007985 0.41108 1.38249
8 3B9Z CO2 0.02476 0.42192 1.84332
9 1T27 PCW 0.005534 0.43629 2.30415
10 3KFC 61X 0.0114 0.4094 2.30415
11 2QE4 JJ3 0.01183 0.4272 2.76498
12 5DXE EST 0.004977 0.41587 2.76498
13 2QZO KN1 0.005994 0.40656 2.76498
14 3UU7 2OH 0.01857 0.40532 2.76498
15 1E8G FCR 0.02591 0.40399 2.76498
16 5HYR EST 0.003943 0.40393 2.76498
17 3UUD EST 0.005069 0.40014 2.76498
18 3TDC 0EU 0.0001174 0.53804 3.22581
19 5L2J 70E 0.014 0.43246 3.22581
20 5L2J 6UL 0.01323 0.43246 3.22581
21 3PE2 E1B 0.0242 0.40715 3.22581
22 3G08 FEE 0.03126 0.4078 3.68664
23 5UGW GSH 0.0004561 0.47945 4
24 2GJ5 VD3 0.01719 0.40782 4.32099
25 4C2V YJA 0.01299 0.40551 4.54545
26 3WYJ H78 0.026 0.41765 4.60829
27 4LA7 A1O 0.001245 0.44603 5.18135
28 2WCJ M21 0.005879 0.41235 5.67376
29 4JOB TLA 0.01306 0.40989 5.99078
30 2V58 LZJ 0.03255 0.40004 6.01336
31 2O4J VD4 0.004382 0.42442 6.45161
32 2ZCQ B65 0.02009 0.41023 6.45161
33 3JRS A8S 0.004675 0.40461 6.73077
34 1XVB BHL 0.01184 0.41755 6.91244
35 3KDJ A8S 0.005783 0.40725 6.93069
36 3E8N ATP 0.01766 0.41294 7.37327
37 3SCM LGN 0.006129 0.44357 7.72947
38 5KOD IAC 0.01315 0.41558 7.8341
39 2Z9I GLY ALA THR VAL 0.02479 0.40415 7.8341
40 2QLU ADE 0.01765 0.40108 7.8341
41 3RUG DB6 0.01943 0.41347 7.84314
42 1Y0G 8PP 0.02848 0.40201 7.8534
43 2X24 X24 0.007841 0.40143 8.29493
44 4CQB MLI 0.01432 0.40949 9.21659
45 4RQL SNE 0.01469 0.40606 9.21659
46 4J6C STR 0.01351 0.40787 9.67742
47 1OLM VTQ 0.007567 0.41359 11.0599
48 1ZDT PEF 0.008487 0.40987 11.5207
49 2PRG BRL 0.006133 0.40415 12.5
50 2DYS PGV 0.02173 0.4009 12.766
51 4YSX E23 0.01416 0.41132 12.8205
52 4ANW O92 0.01524 0.40477 15.2074
53 3OJI PYV 0.003894 0.41674 17.9894
54 5JO1 6LM 0.002799 0.42307 18.3784
55 2E2R 2OH 0.008614 0.41985 19.3548
56 3R1V AZB 0.01079 0.40364 27.5591
57 1EYQ NAR 0.0002042 0.43848 41.4747
58 4DOO DAO 0.00005991 0.49181 43.4146
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