-->
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 1443 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 1205 families.
1 4DOL - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5WKS - NAR C15 H12 O5 c1cc(ccc1[....
2 5WKR - NAR C15 H12 O5 c1cc(ccc1[....
3 1FM7 - DFV C15 H12 O4 c1cc(ccc1[....
4 1JEP - DFL C15 H12 O3 c1ccc2c(c1....
5 1EYQ - NAR C15 H12 O5 c1cc(ccc1[....
6 1FM8 - DDC C15 H12 O3 c1ccc(cc1)....
7 1JX1 - DFV C15 H12 O4 c1cc(ccc1[....
8 4DOL - PLM C16 H32 O2 CCCCCCCCCC....
9 5YX4 - HCC C15 H12 O4 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 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 with APoc: 192
This union binding pocket(no: 1) in the query (biounit: 4dol.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4QM9 CYS None
3 4OIV XX9 None
4 1YOK P6L None
5 4WG0 CHD None
6 1YUC EPH None
7 1ZDU P3A None
8 5B09 4MX None
9 3OKI OKI None
10 5U9J GER None
11 3D78 NBB None
12 1N8V BDD None
13 1ECM TSA None
14 1YMT DR9 1.38249
15 1K7L 544 1.38249
16 3FEI CTM 1.38249
17 2NPA MMB 1.38249
18 2HFP NSI 1.84332
19 5OLK DTP 1.84332
20 6AD9 KK4 1.84332
21 3B9Z CO2 1.84332
22 2P4Y C03 1.84332
23 5A86 D7E 1.84332
24 2GBB CIT 1.92308
25 5TPV TYD 1.96078
26 1Y9Q MED 2.08333
27 1T27 PCW 2.30415
28 1TMX HGX 2.30415
29 3KFC 61X 2.30415
30 4S00 AKR 2.30415
31 3TIK JKF 2.30415
32 1R6N 434 2.36967
33 5M36 9SZ 2.76498
34 5WGD EST 2.76498
35 5DXE EST 2.76498
36 3UUD EST 2.76498
37 5V3Y 5V8 2.76498
38 5WGQ EST 2.76498
39 5M37 9SZ 2.76498
40 4POJ 2VP 2.76498
41 4TV1 36M 2.76498
42 5DX3 EST 2.76498
43 1YHM AHD 2.76498
44 6F5W KG1 2.76498
45 4MGD 27N 2.76498
46 4MG7 27H 2.76498
47 1DKF OLA 2.76498
48 2QZO KN1 2.76498
49 3UU7 2OH 2.76498
50 5AAV GW5 2.76498
51 1E8G FCR 2.76498
52 4MG9 27K 2.76498
53 4MGA 27L 2.76498
54 5HYR EST 2.76498
55 4L77 CNL 2.76498
56 5ERM 210 2.76498
57 3ZPG 5GP 2.76498
58 3TDC 0EU 3.22581
59 4M26 AKG 3.22581
60 6CB2 OLC 3.22581
61 3PE2 E1B 3.22581
62 5KD6 6C7 3.22581
63 5XK9 DMA 3.22581
64 5XK9 GST 3.22581
65 5UR6 8KM 3.31492
66 5JSP DQY 3.48259
67 5IM3 DTP 3.68664
68 2BHW NEX 3.68664
69 5LX9 OLB 3.68664
70 4J24 EST 3.68664
71 1I0B PEL 3.68664
72 3KP6 SAL 3.97351
73 2ET1 GLV 3.9801
74 5UGW GSH 4
75 2P1C GG3 4.14747
76 2Z7I 742 4.14747
77 4UBS DIF 4.14747
78 4TQ3 GPP 4.14747
79 1S9A BEZ 4.14747
80 6AMI TRP 4.14747
81 2PA7 TYD 4.25532
82 4C2V YJA 4.54545
83 4F7E 0SH 4.60829
84 1RDT 570 4.60829
85 3WYJ H78 4.60829
86 2Q6B HR2 4.60829
87 2HZL PYR 4.60829
88 3FAL REA 4.60829
89 4Q0A 4OA 4.60829
90 1UP7 G6P 4.60829
91 4WVO 3UZ 4.97238
92 1M2Z BOG 5.06912
93 1ZPD CIT 5.06912
94 3X01 AMP 5.06912
95 4LA7 A1O 5.18135
96 1A78 TDG 5.22388
97 4OB6 S2T 5.52995
98 5KD8 TNR 5.52995
99 3GZ9 D32 5.52995
100 3F8C HT1 5.55556
101 3NMV PYV 5.61798
102 2WCJ M21 5.67376
103 5LWY OLB 5.88235
104 4JOB TLA 5.99078
105 4U0S ADP 5.99078
106 2V58 LZJ 6.01336
107 4B1L FRU 6.06061
108 1DTL BEP 6.21118
109 2O4J VD4 6.45161
110 5XPL 8C9 6.45161
111 4BXF AKG 6.45161
112 2ZCQ B65 6.45161
113 6CR2 LFV 6.45161
114 3JRS A8S 6.73077
115 5EYK 5U5 6.77966
116 1XVB BHL 6.91244
117 5U97 PIT 6.91244
118 5DLY 5D7 6.91244
119 3KDJ A8S 6.93069
120 5C1M 4VO 7.2
121 5W7B MYR 7.37327
122 6B9R 2HE 7.37327
123 3E8N VRA 7.37327
124 3E8N ATP 7.37327
125 3OID TCL 7.37327
126 1P0Z FLC 7.63359
127 3QUZ QUV 7.6555
128 3SCM LGN 7.72947
129 4I90 CHT 7.8341
130 5KOD IAC 7.8341
131 2QJY UQ2 7.8341
132 2Z9I GLY ALA THR VAL 7.8341
133 2QLU ADE 7.8341
134 2WKV COA 7.8341
135 3RUG DB6 7.84314
136 1Y0G 8PP 7.8534
137 1ZED PNP 8.29493
138 6CGN DA 8.29493
139 4F06 PHB 8.29493
140 5DRB 5FJ 8.29493
141 4O4K 2PK 8.29493
142 2X24 X24 8.29493
143 2GWD GLU 8.29493
144 5Y02 MXN 8.41121
145 5Y02 HBX 8.41121
146 1JR8 FAD 8.54701
147 4OKD GLC GLC GLC 8.75576
148 2HJ9 AI2 9.21659
149 4CQB MLI 9.21659
150 4RQL SNE 9.21659
151 4ZGM 32M 9.67742
152 4J6C STR 9.67742
153 4OGQ 7PH 10.0559
154 4OGQ 1O2 10.0559
155 4OGQ UMQ 10.0559
156 1HBK COA 10.1124
157 3TKY N7I 10.1382
158 4EWH T77 10.1382
159 2Y69 CHD 10.5991
160 6AC9 ANP 10.5991
161 1OLM VTQ 11.0599
162 1ZDT PEF 11.5207
163 2GWH PCI 11.5207
164 4XCB AKG 11.5207
165 4D42 NAP 12.4424
166 4D42 W0I 12.4424
167 2PRG BRL 12.5
168 5Z84 CHD 12.766
169 5ZCO CHD 12.766
170 5W97 CHD 12.766
171 2DYS TGL 12.766
172 2DYR TGL 12.766
173 5Z84 PGV 12.766
174 2DYR PGV 12.766
175 5ZCO PGV 12.766
176 2DYS PGV 12.766
177 4YSX E23 12.8205
178 4MMP SLB 12.9032
179 2UW1 GVM 13.3641
180 1T0S BML 13.8249
181 1ZGA HMK 14.0056
182 2JC9 ADN 16.129
183 2AGC MYR 16.6667
184 5CX6 CDP 17.5115
185 3OJI PYV 17.9894
186 3N7S 3N7 18.2609
187 5JO1 6LM 18.3784
188 2E2R 2OH 19.3548
189 3TL1 JRO 23.2704
190 3R1V AZB 27.5591
191 1MT1 AG2 28.8462
192 4DOO DAO 43.4146
APoc FAQ
Feedback