Receptor
PDB id Resolution Class Description Source Keywords
3S0B 1.22 Å NON-ENZYME: OTHER APIS MELLIFERA OBP14 IN COMPLEX WITH THE FLUORESCENT PROBE 1 PHENYLNAPHTHYLAMINE (NPN) APIS MELLIFERA ALL HELICAL PROTEIN UNKNOWN ODORANT MOLECULES ANTENNAE TRPROTEIN
Ref.: CRYSTAL STRUCTURE OF APIS MELLIFERA OBP14, A C-MINU ODORANT-BINDING PROTEIN, AND ITS COMPLEXES WITH ODO MOLECULES. INSECT BIOCHEM.MOL.BIOL. V. 42 41 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FNA A:120;
 Valid;
 none;
 Kd = 0.32 uM
219.281 C16 H13 N c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3S0E 1.6 Å NON-ENZYME: OTHER APIS MELLIFERA OBP14 IN COMPLEX WITH THE ODORANT EUGENOL (2- 4(2-PROPENYL)-PHENOL) APIS MELLIFERA ALL HELICAL PROTEIN UNKNOWN ODORANT MOLECULES ANTENNAE TRPROTEIN
Ref.: CRYSTAL STRUCTURE OF APIS MELLIFERA OBP14, A C-MINU ODORANT-BINDING PROTEIN, AND ITS COMPLEXES WITH ODO MOLECULES. INSECT BIOCHEM.MOL.BIOL. V. 42 41 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FNA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FNA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FNA; Similar ligands found: 364
No: Ligand Similarity coefficient
1 EVO 0.9711
2 3B4 0.9574
3 1Q4 0.9570
4 3AK 0.9567
5 FUZ 0.9539
6 3WK 0.9518
7 3D8 0.9504
8 S0I 0.9501
9 6XC 0.9498
10 9E3 0.9486
11 12R 0.9470
12 3WO 0.9468
13 3WN 0.9468
14 LI4 0.9451
15 B5A 0.9401
16 9F8 0.9372
17 RK4 0.9368
18 4GU 0.9365
19 BC3 0.9349
20 BIE 0.9340
21 0FR 0.9329
22 C4E 0.9326
23 LI7 0.9325
24 H35 0.9321
25 AJD 0.9319
26 ONZ 0.9312
27 EXG 0.9307
28 VJJ 0.9304
29 5P3 0.9301
30 QTS 0.9300
31 PW1 0.9289
32 0H5 0.9279
33 AKD 0.9276
34 96Z 0.9274
35 IM4 0.9272
36 QUB 0.9269
37 AEY 0.9261
38 AX8 0.9260
39 3WJ 0.9258
40 4K2 0.9255
41 IBC 0.9246
42 1U7 0.9244
43 536 0.9242
44 MBP 0.9241
45 A4V 0.9239
46 TRP 0.9238
47 7VF 0.9227
48 5E4 0.9226
49 3IL 0.9225
50 2LX 0.9223
51 CMG 0.9207
52 NIY 0.9204
53 CMU 0.9197
54 R9G 0.9193
55 B4L 0.9193
56 IQQ 0.9189
57 HO6 0.9188
58 HA6 0.9186
59 CPW 0.9182
60 TH4 0.9176
61 LLG 0.9175
62 WL3 0.9171
63 PVK 0.9162
64 Q5M 0.9158
65 ELH 0.9156
66 CGW 0.9152
67 ZEA 0.9152
68 7ZL 0.9151
69 4Z9 0.9150
70 IOP 0.9145
71 OUB 0.9140
72 PVQ 0.9138
73 FPL 0.9136
74 4WF 0.9131
75 N1Y 0.9131
76 RVE 0.9129
77 ZEZ 0.9125
78 F0C 0.9111
79 A7M 0.9107
80 531 0.9102
81 KZ9 0.9102
82 TOM 0.9102
83 1ZC 0.9099
84 7Z9 0.9098
85 QC1 0.9096
86 DCN 0.9092
87 GZV 0.9087
88 9BF 0.9078
89 AUY 0.9075
90 X2M 0.9072
91 ID8 0.9072
92 AVA 0.9070
93 LTN 0.9067
94 39Z 0.9065
95 5P7 0.9064
96 5WM 0.9057
97 56N 0.9056
98 NW1 0.9053
99 WVV 0.9052
100 MJ5 0.9051
101 7M2 0.9047
102 SLY 0.9045
103 MUK 0.9032
104 ZIP 0.9025
105 I0D 0.9025
106 GNW 0.9022
107 0OO 0.9021
108 UI2 0.9019
109 UN4 0.9016
110 C0W 0.9014
111 DTR 0.9012
112 S7V 0.9010
113 CG8 0.9009
114 L21 0.9009
115 EMU 0.9007
116 5AD 0.9004
117 DE7 0.9003
118 5AV 0.9003
119 6J5 0.8999
120 5WN 0.8998
121 EXR 0.8997
122 BZM 0.8996
123 C0Y 0.8994
124 6PB 0.8993
125 XYP XYP 0.8992
126 4EU 0.8990
127 TQ3 0.8988
128 3IP 0.8988
129 0QV 0.8987
130 ISC 0.8978
131 LJ4 0.8976
132 6J3 0.8972
133 GN6 0.8972
134 DBQ 0.8970
135 RGG 0.8970
136 22L 0.8964
137 OSB 0.8962
138 CH8 0.8961
139 2LT 0.8958
140 NWL 0.8956
141 AYS 0.8952
142 NWD 0.8952
143 CJZ 0.8950
144 KF5 0.8950
145 6J9 0.8949
146 8OB 0.8946
147 ITW 0.8945
148 NFK 0.8943
149 8OE 0.8943
150 OX2 0.8940
151 XZ1 0.8940
152 CX4 0.8939
153 MEX 0.8935
154 CC5 0.8933
155 S7D 0.8930
156 67Y 0.8930
157 25O 0.8930
158 29Q 0.8925
159 G6P 0.8923
160 VJP 0.8917
161 7NU 0.8909
162 5JT 0.8907
163 M77 0.8905
164 TZM 0.8898
165 P2L 0.8898
166 9W5 0.8897
167 M02 0.8897
168 5ER 0.8895
169 CLU 0.8892
170 PE2 0.8892
171 XDL XYP 0.8892
172 CHQ 0.8890
173 4GP 0.8888
174 X29 0.8887
175 WA2 0.8885
176 NQ7 0.8884
177 T6Z 0.8882
178 LM7 0.8881
179 2KU 0.8880
180 PLP 0.8879
181 3EB 0.8878
182 3IB 0.8878
183 IWH 0.8877
184 A6H 0.8874
185 KYN 0.8873
186 B4O 0.8868
187 11X 0.8868
188 X0T 0.8864
189 TQ4 0.8863
190 AZY 0.8863
191 848 0.8861
192 D8Y 0.8859
193 6HP 0.8857
194 Q2R 0.8856
195 TCL 0.8855
196 I2E 0.8855
197 PMP 0.8851
198 IKY 0.8851
199 DXK 0.8851
200 M3Q 0.8848
201 3LJ 0.8846
202 2N0 0.8845
203 TLF 0.8843
204 2L2 0.8843
205 AC2 0.8842
206 EYY 0.8842
207 EYM 0.8839
208 B23 0.8837
209 5WS 0.8835
210 GA2 0.8831
211 TOH 0.8830
212 54F 0.8830
213 HHV 0.8829
214 8UY 0.8828
215 9X3 0.8824
216 RNK 0.8821
217 ON1 0.8820
218 KTM 0.8819
219 RUG 0.8819
220 DJL 0.8817
221 QMS 0.8816
222 KED 0.8814
223 CTN 0.8809
224 GJB 0.8809
225 NTF 0.8804
226 TCC 0.8804
227 AMR 0.8804
228 CR1 0.8801
229 P9I 0.8799
230 1VQ 0.8796
231 78U 0.8796
232 LL1 0.8794
233 MMS 0.8791
234 5V7 0.8791
235 2TU 0.8790
236 HLP 0.8789
237 ASE 0.8788
238 YIP 0.8787
239 BPY 0.8786
240 BY5 0.8785
241 X6P 0.8783
242 43F 0.8782
243 EYA 0.8782
244 1A6 0.8782
245 QTV 0.8780
246 9GP 0.8780
247 ZYV 0.8780
248 6GP 0.8778
249 C0H 0.8776
250 BG6 0.8776
251 6HO 0.8773
252 BB4 0.8772
253 IAG 0.8771
254 4JV 0.8771
255 NXB 0.8771
256 JMS 0.8766
257 XIL 0.8766
258 A4G 0.8764
259 27M 0.8761
260 GAL PHB 0.8761
261 YE6 0.8760
262 E9P 0.8760
263 4R1 0.8758
264 2VQ 0.8757
265 FC3 0.8757
266 PXP 0.8757
267 XFE 0.8757
268 VYM 0.8756
269 O2Y 0.8754
270 790 0.8752
271 9F5 0.8747
272 3SU 0.8743
273 ZYW 0.8739
274 URI 0.8737
275 DKZ 0.8736
276 ET0 0.8731
277 AM1 0.8728
278 IQP 0.8725
279 BQ5 0.8724
280 S46 0.8722
281 I59 0.8721
282 DIF 0.8720
283 CJB 0.8719
284 DIH 0.8717
285 F63 0.8709
286 GPK 0.8708
287 UAY 0.8707
288 QIF 0.8707
289 50Q 0.8706
290 XI7 0.8706
291 L12 0.8706
292 DTQ 0.8705
293 AX5 0.8704
294 28A 0.8698
295 78P 0.8698
296 R4E 0.8697
297 NLA 0.8696
298 Z15 0.8694
299 DNB 0.8693
300 DKX 0.8689
301 GAT 0.8688
302 89J 0.8682
303 Z57 0.8681
304 AZC 0.8681
305 C9E 0.8681
306 977 0.8680
307 4P8 0.8676
308 N2Y 0.8676
309 JXQ 0.8675
310 U1K 0.8673
311 UX0 0.8673
312 BGP 0.8665
313 5OF 0.8665
314 2OH 0.8664
315 LJ1 0.8664
316 KFN 0.8661
317 B41 0.8659
318 EAJ 0.8659
319 R75 0.8658
320 B61 0.8650
321 L5S 0.8649
322 A1Y 0.8647
323 GI4 0.8647
324 SQP 0.8646
325 43P 0.8639
326 JO8 0.8637
327 F5C 0.8635
328 A0O 0.8634
329 DK4 0.8625
330 2AN 0.8625
331 VGG 0.8625
332 SNB 0.8622
333 MHD GAL 0.8622
334 TCW 0.8621
335 S8D 0.8621
336 3QO 0.8617
337 7ZC 0.8616
338 CKI 0.8613
339 32V 0.8612
340 7I2 0.8609
341 X04 0.8607
342 AFX 0.8607
343 FVY 0.8605
344 NPL 0.8603
345 HX8 0.8603
346 HVE 0.8602
347 C53 0.8600
348 M6D 0.8598
349 PLR 0.8597
350 CE2 0.8597
351 6GR 0.8594
352 NQH 0.8591
353 SBK 0.8589
354 NWW 0.8574
355 3VW 0.8573
356 74Z 0.8565
357 SFY 0.8561
358 F6R 0.8555
359 LJ2 0.8554
360 ZKW 0.8552
361 GPQ 0.8551
362 FCD 0.8539
363 ZON 0.8538
364 CBQ 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3S0E; Ligand: EOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3s0e.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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