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 1256 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 1068 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 922 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: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ7 1 1
2 UQ 1 1
3 U10 1 1
4 UQ8 1 1
5 UQ9 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ7 0.552239 0.710526
10 MQ9 0.552239 0.710526
11 UQ6 0.449275 0.780488
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E8T; Ligand: UQ8; Similar sites found: 168
This union binding pocket(no: 1) in the query (biounit: 3e8t.bio1) has 54 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YLZ LAT NAG GAL 0.0063 0.46996 None
2 4F4S EFO 0.01482 0.44754 None
3 1N8V BDD 0.0202 0.42796 None
4 5OO5 UUA 0.01538 0.4271 None
5 3RET SAL 0.01911 0.42569 None
6 3RET PYR 0.01911 0.42569 None
7 3EW2 BTN 0.03742 0.41717 None
8 1OW4 2AN 0.04296 0.4139 None
9 3A6T 8OG 0.03744 0.40746 None
10 4J6C STR 0.01293 0.44638 1.36364
11 5HV0 AKG 0.00921 0.44203 1.38249
12 3ZGJ RMN 0.02761 0.42816 1.81818
13 1UNB AKG 0.003924 0.42505 2.27273
14 1UNB PN1 0.004027 0.41956 2.27273
15 1XMY ROL 0.04589 0.41586 2.27273
16 5I49 2KH 0.04345 0.41363 2.27273
17 4ZGM 32M 0.02949 0.4314 2.45902
18 2QES ADE 0.03219 0.43224 2.72727
19 5HCN DAO 0.0452 0.42001 2.72727
20 1UAS GLA 0.04274 0.41759 2.72727
21 2Q8H TF4 0.03507 0.41741 2.72727
22 1MGP PLM 0.01365 0.40687 2.72727
23 3RY9 1CA 0.03641 0.40517 2.72727
24 1PWB GLC GLC 0.0131 0.44186 2.82486
25 3M3E GAL A2G NPO 0.04484 0.40596 3.10559
26 1WW5 SGA BGC 0.009008 0.46062 3.125
27 3RGA LSB 0.00338 0.46025 3.18182
28 3TDC 0EU 0.01609 0.45277 3.18182
29 3WDX BGC BGC GLC 0.004281 0.44412 3.18182
30 1U25 IHS 0.01415 0.44124 3.18182
31 3WDX BGC BGC BGC 0.007613 0.43551 3.18182
32 1O6U PLM 0.02983 0.41566 3.18182
33 3G58 988 0.04989 0.41034 3.18182
34 1R5L VIV 0.01716 0.4049 3.18182
35 3G4G D71 0.03698 0.40208 3.18182
36 2DIO EOD 0.04177 0.40803 3.19149
37 1TW4 CHD 0.04844 0.40776 3.2
38 2Y7P SAL 0.005017 0.47406 3.21101
39 3N0Y APC 0.01464 0.4105 3.35196
40 5U9J GER 0.02127 0.43867 3.5503
41 1NYW DAU 0.03786 0.40157 3.5533
42 3K4Z CBI 0.02396 0.42264 3.63636
43 4CSD MFU 0.04821 0.42034 3.63636
44 1RJD SAM 0.03557 0.40291 3.63636
45 1EPB REA 0.04144 0.40521 3.65854
46 4L4J NAG NAG BMA MAN NAG 0.0004715 0.53606 4.09091
47 4FE2 ADP 0.01768 0.43102 4.09091
48 1SDW IYT 0.02062 0.42749 4.09091
49 3B9Z CO2 0.03598 0.42135 4.09091
50 1DMY AZM 0.03896 0.41984 4.09091
51 3ET1 ET1 0.01974 0.41843 4.09091
52 4RC8 STE 0.01158 0.41781 4.09091
53 5HJO XD3 0.03904 0.41617 4.09091
54 4UBS DIF 0.0481 0.41431 4.09091
55 1JPA ANP 0.04447 0.4097 4.09091
56 4ZSI GLP 0.04661 0.40258 4.09357
57 4H6B 10Y 0.02511 0.43046 4.10256
58 4H6B 10X 0.03112 0.42527 4.10256
59 4XCP PLM 0.04838 0.41697 4.11765
60 3L1N PLM 0.02641 0.43333 4.12371
61 2Z77 NCA 0.03802 0.42431 4.31655
62 2P7Q GG6 0.03396 0.42316 4.51128
63 1O9U ADZ 0.02025 0.4503 4.54545
64 4WOE ADP 0.0202 0.44246 4.54545
65 5IKR ID8 0.01155 0.44076 4.54545
66 3UUA 0CZ 0.015 0.43868 4.54545
67 4TV1 36M 0.02691 0.43287 4.54545
68 4UZI IMD 0.03041 0.42854 4.54545
69 1TZD ADP 0.04065 0.42297 4.54545
70 2Y0I AKG 0.04316 0.42202 4.54545
71 5K53 STE 0.02805 0.40522 4.54545
72 2UZ2 BTN 0.02945 0.41278 4.61538
73 4RQL SNE 0.01148 0.44924 5
74 2VFT SOR 0.02235 0.42933 5
75 4OCT AKG 0.03333 0.41991 5
76 5LX9 OLB 0.03154 0.41439 5
77 2IPI AKY 0.03433 0.40939 5
78 3AJH BL3 0.04333 0.40421 5
79 2GQS ADP 0.04361 0.40407 5
80 5E89 TD2 0.03364 0.40984 5.03597
81 4JH6 FCN 0.04279 0.41756 5.07246
82 3ZJQ NCA 0.008352 0.43781 5.12821
83 3KP6 SAL 0.03355 0.42123 5.29801
84 5X7Q GLC GLC GLC GLC 0.01687 0.44214 5.45455
85 3B00 16A 0.01407 0.44017 5.45455
86 3LE7 ADE 0.0465 0.42095 5.45455
87 4BPZ GLC BGC BGC 0.04023 0.41906 5.45455
88 5X7Q GLC GLC GLC GLC GLC 0.04361 0.40753 5.45455
89 1KGI T4A 0.01952 0.40485 5.51181
90 2D6M LBT 0.004272 0.46588 5.66038
91 5CHR 4NC 0.00562 0.47217 5.83942
92 3PUR 2HG 0.01244 0.4534 5.90909
93 4UCC ZKW 0.02364 0.42729 5.90909
94 5FQK 6NT 0.04223 0.42297 5.94796
95 5JSP DQY 0.02086 0.43944 5.97015
96 1VPV PLM 0.01571 0.40188 6
97 3WFD AXO 0.02045 0.43109 6.10329
98 4RLT FSE 0.01781 0.43086 6.32911
99 4DOO DAO 0.04689 0.4054 6.34146
100 4M51 BEZ 0.01216 0.44006 6.36364
101 3KU0 ADE 0.02491 0.43708 6.36364
102 2XIB DFU 0.04357 0.42094 6.36364
103 4E2J MOF 0.023 0.40667 6.36364
104 3GN8 DEX 0.03056 0.40344 6.36364
105 1KQW RTL 0.01816 0.42024 6.71642
106 4ZU4 4TG 0.01968 0.42168 6.75676
107 2JIG PD2 0.03367 0.42337 6.81818
108 3DSK T25 0.03123 0.42145 6.81818
109 4XCB AKG 0.04564 0.41977 6.81818
110 1IND EOT 0.03299 0.42574 7.27273
111 4WH9 3M8 0.03746 0.43616 7.65027
112 1J1R ADE 0.03511 0.4273 7.72727
113 4M26 AKG 0.04092 0.42352 7.72727
114 5DG2 GAL GLC 0.002052 0.4639 8.14815
115 1JZN BGC GAL 0.03972 0.42085 8.14815
116 3FW9 SLX 0.01944 0.41574 8.18182
117 3KC1 2T6 0.0198 0.41535 8.18182
118 5B25 4QJ 0.04849 0.4017 8.18182
119 1SN0 T44 0.02377 0.42423 8.46154
120 2GC0 PAN 0.01247 0.42832 9.04255
121 3WV6 GAL BGC 0.005326 0.45764 9.09091
122 3WV6 GAL GLC 0.003142 0.44642 9.09091
123 2YOO K2B 0.0226 0.41255 9.09091
124 3ZW0 FUC 0.04765 0.42122 9.1954
125 2YMZ LAT 0.001168 0.4658 9.23077
126 3N8K D1X 0.03712 0.41736 9.30233
127 3ET3 ET1 0.0205 0.41175 9.54545
128 2Z5Y HRM 0.03685 0.42119 10
129 3FAL REA 0.02883 0.41642 10
130 4ZOM 4Q3 0.0255 0.41596 10
131 4COL DTP 0.0425 0.40464 10
132 3DTU DXC 0.01344 0.44824 10.4545
133 4ZXA H8N 0.04812 0.4147 10.4545
134 4O9S 2RY 0.01876 0.40083 10.6977
135 5V3Y 5V8 0.04832 0.4111 10.9091
136 2VOT NHV 0.03998 0.40903 10.9091
137 1YKD CMP 0.004398 0.45067 11.3636
138 4LA7 A1O 0.01637 0.40582 11.399
139 1N5S ADL 0.006308 0.44662 11.6071
140 4O1Z MXM 0.0301 0.40116 11.8182
141 1OGZ EQU 0.02744 0.42092 12
142 2FDW D3G 0.02747 0.42829 12.2727
143 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.004149 0.46867 12.381
144 2WH8 II2 0.02724 0.42468 14.0909
145 1I06 TZL 0.03967 0.42326 14.4444
146 5C3R HMU 0.02125 0.41684 14.5455
147 5C3R AKG 0.02125 0.41684 14.5455
148 2WT2 GAL NAG GAL NAG GAL NAG 0.02116 0.40085 14.5455
149 1J3R 6PG 0.01586 0.43737 14.7368
150 3JRS A8S 0.04483 0.40345 14.9038
151 1QY1 PRZ 0.004536 0.43963 14.9425
152 5W97 CHD 0.03945 0.42591 15.2941
153 1ULE GLA GAL NAG 0.03095 0.4199 15.3333
154 1ND2 MYR 0.01131 0.43745 16.1765
155 1RV1 IMZ 0.01143 0.441 16.4706
156 3RLF MAL 0.01545 0.44212 16.8182
157 2Y69 CHD 0.04631 0.42127 17.5
158 1UO5 PIH 0.02121 0.41538 17.6471
159 2VAT COA 0.04556 0.40029 18.1818
160 3JQ3 ADP 0.04944 0.41056 18.6364
161 3GF4 U5P 0.02663 0.40907 19.0909
162 4DS8 A8S 0.04384 0.40693 20.0957
163 1J78 VDY 0.005532 0.46666 20.9091
164 1J78 OLA 0.00455 0.43384 20.9091
165 1AUA BOG 0.04776 0.41864 22.7273
166 5H9Q TD2 0.003365 0.47492 23.2258
167 4JX1 CAH 0.04801 0.40535 27.4336
168 3SAO NKN 0.005854 0.46065 28.75
Feedback