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Receptor
PDB id Resolution Class Description Source Keywords
3E8T 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EPIPHYAS POSTVITTANA TAKEOUT 1 EPIPHYAS POSTVITTANA TAKEOUT EPIPHYAS POSTVITTANA TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF EPIPHYAS POSTVITTANA TAKEOUT 1 WITH BOUND UBIQUINONE SUPPORTS A ROLE AS LIGAND CARRIERS FOR TAKEOUT PROTEINS IN INSECTS J.BIOL.CHEM. V. 284 3496 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UQ8 A:221;
Valid;
none;
submit data
727.109 C49 H74 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E8T 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EPIPHYAS POSTVITTANA TAKEOUT 1 EPIPHYAS POSTVITTANA TAKEOUT EPIPHYAS POSTVITTANA TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF EPIPHYAS POSTVITTANA TAKEOUT 1 WITH BOUND UBIQUINONE SUPPORTS A ROLE AS LIGAND CARRIERS FOR TAKEOUT PROTEINS IN INSECTS J.BIOL.CHEM. V. 284 3496 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4G0S - MYR C14 H28 O2 CCCCCCCCCC....
2 3E8T - UQ8 C49 H74 O4 CC1=C(C(=O....
3 3E8W - UQ8 C49 H74 O4 CC1=C(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4G0S - MYR C14 H28 O2 CCCCCCCCCC....
2 3E8T - UQ8 C49 H74 O4 CC1=C(C(=O....
3 3E8W - UQ8 C49 H74 O4 CC1=C(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4G0S - MYR C14 H28 O2 CCCCCCCCCC....
2 3E8T - UQ8 C49 H74 O4 CC1=C(C(=O....
3 3E8W - UQ8 C49 H74 O4 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UQ8; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ 1 1
2 UQ8 1 1
3 U10 1 1
4 UQ9 1 1
5 UQ7 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ9 0.552239 0.710526
10 MQ7 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E8T; Ligand: UQ8; Similar sites found with APoc: 259
This union binding pocket(no: 1) in the query (biounit: 3e8t.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 4YLZ LAT NAG GAL None
2 3F8C HT1 None
3 4F4S EFO None
4 5OO5 UUA None
5 3RET PYR None
6 4BJ8 BTN None
7 3RET SAL None
8 1WBI BTN None
9 1N8V BDD None
10 1Y52 BTN None
11 3EW2 BTN None
12 4WG0 CHD None
13 1OW4 2AN None
14 6BU0 IHP None
15 3A6T 8OG None
16 6AYI C3G None
17 1DTL BEP 1.24224
18 1XQP 8HG 1.36364
19 4J6C STR 1.36364
20 5HV0 AKG 1.38249
21 6AYH C3G 1.49254
22 3QP8 HL0 1.63043
23 4OIT MAN 1.76991
24 3ZGJ RMN 1.81818
25 1FDJ 13P 2.27273
26 1UNB AKG 2.27273
27 1SJD NPG 2.27273
28 1UNB PN1 2.27273
29 4I90 CHT 2.27273
30 1XMY ROL 2.27273
31 5I49 2KH 2.27273
32 4Q0A 4OA 2.27273
33 4D52 GXL 2.27273
34 4D52 GIV 2.27273
35 5NCJ SIN 2.27273
36 4ZGM 32M 2.45902
37 5NM7 GLY 2.72727
38 2Q8G AZX 2.72727
39 2QES ADE 2.72727
40 2UW1 GVM 2.72727
41 2YJD YJD 2.72727
42 5HCN DAO 2.72727
43 1UAS GLA 2.72727
44 1MGP PLM 2.72727
45 3RY9 1CA 2.72727
46 4P6X HCY 2.72727
47 1M2Z DEX 2.72727
48 3M3E GAL A2G NPO 3.10559
49 1WW5 SGA BGC 3.125
50 3KAL HGS 3.18182
51 3RGA LSB 3.18182
52 3TDC 0EU 3.18182
53 3WDX BGC BGC GLC 3.18182
54 1U25 IHS 3.18182
55 3R9C ECL 3.18182
56 1U6R ADP 3.18182
57 1O6U PLM 3.18182
58 5NBP BGC BGC BGC 3.18182
59 3G58 988 3.18182
60 1R5L VIV 3.18182
61 3G4G D71 3.18182
62 2DIO EOD 3.19149
63 1TW4 CHD 3.2
64 2Y7P SAL 3.21101
65 3N0Y APC 3.35196
66 5U9J GER 3.5503
67 1NYW DAU 3.5533
68 6FOF LAT 3.57143
69 4CSD MFU 3.63636
70 3K4Z CBI 3.63636
71 5M37 9SZ 3.63636
72 1RJD SAM 3.63636
73 1IS3 LAT 3.7037
74 4L4J NAG NAG BMA MAN NAG 4.09091
75 4FE2 ADP 4.09091
76 1SDW IYT 4.09091
77 3B9Z CO2 4.09091
78 1DMY AZM 4.09091
79 3ET1 ET1 4.09091
80 5HJO XD3 4.09091
81 4UBS DIF 4.09091
82 1JPA ANP 4.09091
83 2BHW LUX 4.09091
84 4RC8 STE 4.09091
85 4ZSI GLP 4.09357
86 4H6B 10Y 4.10256
87 4H6B 10X 4.10256
88 4XCP PLM 4.11765
89 3L1N PLM 4.12371
90 1R6N 434 4.2654
91 2Z77 HE7 4.31655
92 2Z77 NCA 4.31655
93 4WGF HX2 4.39024
94 6BYM HC3 4.4335
95 2P7Q GG6 4.51128
96 4QYN RTL 4.51128
97 5GLT BGC GAL NAG GAL 4.54545
98 1O9U ADZ 4.54545
99 4WOE ADP 4.54545
100 5IKR ID8 4.54545
101 3UUA 0CZ 4.54545
102 4MGB XDH 4.54545
103 4TV1 36M 4.54545
104 4UZI IMD 4.54545
105 1Y4Z PCI 4.54545
106 1TZD ADP 4.54545
107 2Y0I AKG 4.54545
108 2HU5 GLY PHE 4.54545
109 5K53 STE 4.54545
110 2UZ2 BTN 4.61538
111 3M6P BB2 4.66321
112 4RQL SNE 5
113 5LX9 OLB 5
114 1ZED PNP 5
115 5LWY OLB 5
116 2VFT SOR 5
117 3W5N RAM 5
118 5CX6 CDP 5
119 4OCT AKG 5
120 2IPI AKY 5
121 3AJH BL3 5
122 2GQS ADP 5
123 3NV3 GAL NAG MAN 5.07246
124 4JH6 FCN 5.07246
125 3ZJQ NCA 5.12821
126 3KP6 SAL 5.29801
127 5X7Q GLC GLC GLC GLC 5.45455
128 3B00 16A 5.45455
129 3LE7 ADE 5.45455
130 4BPZ GLC BGC BGC 5.45455
131 5X7Q GLC GLC GLC GLC GLC 5.45455
132 1KGI T4A 5.51181
133 5C1M OLC 5.6
134 5C1M CLR 5.6
135 5C1M 4VO 5.6
136 2D6M LBT 5.66038
137 5CHR 4NC 5.83942
138 3AI3 SOE 5.90909
139 3PUR 2HG 5.90909
140 4UCC ZKW 5.90909
141 2BOY BHO 5.90909
142 5FQK 6NT 5.94796
143 5JSP DQY 5.97015
144 1VPV PLM 6
145 3E3U NVC 6.09137
146 3WFD AXO 6.10329
147 4RLT FSE 6.32911
148 4DOO DAO 6.34146
149 4OGQ 7PH 6.36364
150 4OGQ 1O2 6.36364
151 4M51 BEZ 6.36364
152 3KU0 ADE 6.36364
153 2VQ5 HBA 6.36364
154 2XIB DFU 6.36364
155 4OGQ 2WD 6.36364
156 4E2J MOF 6.36364
157 3GN8 DEX 6.36364
158 6CAY ERG 6.50888
159 1KQW RTL 6.71642
160 4ZU4 4TG 6.75676
161 2JIG PD2 6.81818
162 3DSK T25 6.81818
163 4XCB AKG 6.81818
164 6CI9 F3V 6.81818
165 3E70 GDP 7.0122
166 5OLK DTP 7.27273
167 6FXR AKG 7.27273
168 1IND EOT 7.27273
169 4E70 N7I 7.27273
170 4WH9 3M8 7.65027
171 1J1R ADE 7.72727
172 5AZC PGT 7.72727
173 4M26 AKG 7.72727
174 6GNO XDI 8.14815
175 5DG2 GAL GLC 8.14815
176 1JZN BGC GAL 8.14815
177 2BCG GER 8.18182
178 3FW9 SLX 8.18182
179 3KC1 2T6 8.18182
180 5B25 4QJ 8.18182
181 2FLI DX5 8.63636
182 4QXB OGA 8.82353
183 2BS5 BGC GAL FUC 8.88889
184 2GC0 PAN 9.04255
185 2UXI G50 9.04762
186 6CB2 OLC 9.09091
187 3WV6 GAL BGC 9.09091
188 3WV6 GAL GLC 9.09091
189 2YOO K2B 9.09091
190 3AGC RCC 9.09091
191 3ZW0 FUC 9.1954
192 3ZW2 GAL FUC 9.1954
193 3ZW2 NAG GAL FUC 9.1954
194 2YMZ LAT 9.23077
195 1KZN CBN 9.26829
196 3N8K D1X 9.30233
197 5IM3 DTP 9.54545
198 3ET3 ET1 9.54545
199 2HFP NSI 9.54545
200 2Z5Y HRM 10
201 3FAL REA 10
202 4COL DTP 10
203 3DTU DXC 10.4545
204 4ZXA H8N 10.4545
205 4O9S 2RY 10.6977
206 5V3Y 5V8 10.9091
207 2VOT NHV 10.9091
208 1YKD CMP 11.3636
209 4LA7 A1O 11.399
210 1N5S ADL 11.6071
211 4O1Z MXM 11.8182
212 1OGZ EQU 12
213 2FDW D3G 12.2727
214 3HSS MLA 12.2727
215 3NMV PYV 12.3596
216 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 12.381
217 1DQE BOM 12.4088
218 1BCJ NGA 12.987
219 5Y02 MXN 13.0841
220 5Y02 HBX 13.0841
221 3T3Z 9PL 13.1818
222 2WH8 II2 14.0909
223 1T0S BML 14.0909
224 1RDL MMA 14.1593
225 1I06 TZL 14.4444
226 5C3R AKG 14.5455
227 5C3R HMU 14.5455
228 2WT2 GAL NAG GAL NAG GAL NAG 14.5455
229 1J3R 6PG 14.7368
230 3ZO7 K6H 14.8936
231 3JRS A8S 14.9038
232 5Z84 CHD 15.2941
233 5ZCO CHD 15.2941
234 5W97 CHD 15.2941
235 5ZCO PEK 15.2941
236 1ULE GLA GAL NAG 15.3333
237 5C8W PCG 16.0839
238 1RV1 IMZ 16.4706
239 3RLF MAL 16.8182
240 4JNJ BTN 17.3913
241 2Y69 CHD 17.5
242 1UO5 PIH 17.6471
243 6C0B PAM 18.1818
244 2VAT COA 18.1818
245 3JQ3 ADP 18.6364
246 3GF4 U5P 19.0909
247 5W7B MYR 19.1489
248 4DS8 A8S 20.0957
249 1J78 VDY 20.9091
250 1J78 OLA 20.9091
251 1NU4 MLA 22.6804
252 1AUA BOG 22.7273
253 5H9Q TD2 23.2258
254 5TPV TYD 23.5294
255 1HBK COA 24.7191
256 3ZXE PGZ 27.0677
257 4JX1 CAH 27.4336
258 3SAO NKN 28.75
259 5M36 9SZ 31.5789
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