Receptor
PDB id Resolution Class Description Source Keywords
3UBW 1.9 Å NON-ENZYME: OTHER COMPLEX OF 14-3-3 ISOFORM EPSILON, A MLF1 PHOSPHOPEPTIDE AND FRAGMENT HIT FROM A FBDD SCREEN HOMO SAPIENS ADAPTER PROTEIN SIGNALING PROTEIN SIGNALING PROTEIN-PROTEICOMPLEX
Ref.: STRUCTURAL INSIGHTS OF THE MLF1/14-3-3 INTERACTION. FEBS J. V. 279 563 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6SP A:240;
Valid;
none;
submit data
87.12 C4 H9 N O C1CNC...
TBU A:235;
A:236;
A:237;
A:238;
A:239;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
74.122 C4 H10 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UBW 1.9 Å NON-ENZYME: OTHER COMPLEX OF 14-3-3 ISOFORM EPSILON, A MLF1 PHOSPHOPEPTIDE AND FRAGMENT HIT FROM A FBDD SCREEN HOMO SAPIENS ADAPTER PROTEIN SIGNALING PROTEIN SIGNALING PROTEIN-PROTEICOMPLEX
Ref.: STRUCTURAL INSIGHTS OF THE MLF1/14-3-3 INTERACTION. FEBS J. V. 279 563 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3UBW - 6SP C4 H9 N O C1CNC[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3UBW - 6SP C4 H9 N O C1CNC[C@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3UBW - 6SP C4 H9 N O C1CNC[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6SP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6SP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6SP; Similar ligands found: 325
No: Ligand Similarity coefficient
1 BAQ 1.0000
2 GBL 1.0000
3 IPH 0.9930
4 3ZS 0.9916
5 1CB 0.9910
6 MZY 0.9895
7 ATQ 0.9882
8 7EX 0.9879
9 2IM 0.9842
10 GOA 0.9806
11 A2Q 0.9769
12 OXL 0.9764
13 3TR 0.9733
14 V1L 0.9729
15 CYH 0.9717
16 MZ0 0.9705
17 OXM 0.9696
18 HOW 0.9689
19 L60 0.9684
20 CXL 0.9682
21 2AI 0.9682
22 3MT 0.9681
23 MR3 0.9680
24 93B 0.9678
25 OXD 0.9675
26 AMT 0.9668
27 FAH 0.9658
28 2MZ 0.9652
29 5MP 0.9646
30 GLY 0.9642
31 HAI 0.9641
32 1MZ 0.9641
33 MB3 0.9638
34 NVI 0.9638
35 PYR 0.9637
36 KSW 0.9634
37 4MZ 0.9632
38 GLV 0.9630
39 PPI 0.9617
40 R3W 0.9594
41 2KT 0.9594
42 5KX 0.9589
43 BYZ 0.9585
44 CEJ 0.9584
45 JZ6 0.9582
46 B20 0.9581
47 GOL 0.9577
48 HAE 0.9570
49 BNZ 0.9565
50 PRI 0.9564
51 NIE 0.9554
52 ES3 0.9550
53 P1R 0.9549
54 PYZ 0.9549
55 LAC 0.9535
56 0PY 0.9529
57 LGA 0.9522
58 3OH 0.9518
59 F3V 0.9507
60 2AP 0.9504
61 HVK 0.9503
62 3AP 0.9502
63 AKR 0.9502
64 WOT 0.9501
65 9PO 0.9496
66 PHZ 0.9496
67 MMZ 0.9496
68 HRZ 0.9492
69 4AP 0.9487
70 F50 0.9486
71 MBN 0.9486
72 XAP 0.9486
73 2OP 0.9481
74 HSL 0.9458
75 BVG 0.9457
76 HVQ 0.9453
77 DAL 0.9444
78 BVC 0.9438
79 AOA 0.9437
80 ALA 0.9433
81 HGY 0.9431
82 4AX 0.9426
83 HBR 0.9416
84 MLI 0.9402
85 MLA 0.9402
86 DGY 0.9397
87 HUI 0.9390
88 GXE 0.9389
89 ETF 0.9386
90 SER 0.9371
91 BU4 0.9357
92 26D 0.9354
93 HIU 0.9352
94 DSN 0.9349
95 BAL 0.9348
96 SMB 0.9342
97 1AC 0.9342
98 03W 0.9341
99 PZO 0.9339
100 8CL 0.9332
101 BUA 0.9325
102 URA 0.9325
103 2EZ 0.9321
104 HYN 0.9312
105 TTO 0.9311
106 HVB 0.9310
107 HUH 0.9307
108 PXO 0.9306
109 TRI 0.9304
110 HHN 0.9301
111 IMD 0.9299
112 DMG 0.9297
113 TAY 0.9293
114 SAR 0.9291
115 ALQ 0.9288
116 3PY 0.9284
117 NHY 0.9283
118 HGW 0.9282
119 NIS 0.9279
120 MEU 0.9278
121 NAK 0.9277
122 2A3 0.9275
123 PIH 0.9272
124 BUO 0.9272
125 DE2 0.9272
126 ABA 0.9269
127 MGX 0.9263
128 KG7 0.9262
129 BUQ 0.9260
130 NMU 0.9260
131 280 0.9260
132 BXA 0.9258
133 AGU 0.9257
134 HBS 0.9251
135 TSZ 0.9249
136 HPY 0.9243
137 H3M 0.9241
138 XIX 0.9240
139 BMD 0.9238
140 282 0.9236
141 NBE 0.9232
142 39J 0.9231
143 2A1 0.9227
144 4CH 0.9226
145 2RA 0.9210
146 DXX 0.9209
147 PYM 0.9207
148 CYS 0.9205
149 APY 0.9205
150 CRS 0.9205
151 SYN 0.9200
152 RP7 0.9194
153 HGQ 0.9189
154 HLT 0.9185
155 DUC 0.9179
156 2HA 0.9175
157 40O 0.9171
158 DMI 0.9170
159 EGD 0.9169
160 GXV 0.9164
161 MTG 0.9160
162 3GR 0.9157
163 3ZQ 0.9152
164 DTI 0.9152
165 DCY 0.9150
166 ABN 0.9147
167 24T 0.9142
168 C2N 0.9138
169 THR 0.9137
170 ALF 0.9131
171 2HE 0.9130
172 61G 0.9123
173 C5J 0.9121
174 J3K 0.9121
175 E60 0.9121
176 4DX 0.9120
177 9A4 0.9111
178 IDH 0.9110
179 4JU 0.9108
180 ECE 0.9105
181 A3B 0.9103
182 25T 0.9100
183 PPF 0.9100
184 HBX 0.9098
185 9CL 0.9097
186 285 0.9095
187 DBB 0.9083
188 CHT 0.9074
189 ATO 0.9070
190 FPI 0.9069
191 AMC 0.9067
192 PYJ 0.9067
193 1DH 0.9065
194 284 0.9063
195 1BP 0.9062
196 TF4 0.9060
197 BML 0.9050
198 MLM 0.9048
199 TMO 0.9048
200 1MR 0.9044
201 MMU 0.9040
202 BEW 0.9036
203 NCM 0.9035
204 PRO 0.9030
205 FW5 0.9026
206 2MH 0.9025
207 3CL 0.9020
208 CAQ 0.9018
209 5Y9 0.9006
210 HSW 0.9005
211 BUB 0.8999
212 RCO 0.8998
213 ICC 0.8994
214 ITU 0.8994
215 LG5 0.8992
216 TAN 0.8984
217 B24 0.8982
218 CNH 0.8982
219 LG3 0.8981
220 3HL 0.8979
221 2HP 0.8977
222 AAE 0.8976
223 TFB 0.8969
224 CYT 0.8952
225 BRP 0.8947
226 3CH 0.8943
227 8GF 0.8938
228 278 0.8934
229 192 0.8931
230 VAL 0.8927
231 4XX 0.8927
232 3BB 0.8925
233 1SP 0.8919
234 JBN 0.8919
235 BVF 0.8918
236 VSO 0.8917
237 OHG 0.8914
238 P2D 0.8906
239 ALO 0.8902
240 HV2 0.8900
241 4HS 0.8892
242 LG4 0.8891
243 IOL 0.8885
244 4JN 0.8878
245 PCR 0.8878
246 DPR 0.8878
247 KIV 0.8873
248 HSE 0.8869
249 2PC 0.8865
250 PY7 0.8862
251 PXY 0.8861
252 FJO 0.8861
253 CP2 0.8859
254 TMT 0.8855
255 25R 0.8851
256 IQ0 0.8851
257 TB0 0.8849
258 HQE 0.8843
259 B3R 0.8837
260 CIG 0.8834
261 D2P 0.8828
262 TMZ 0.8825
263 PRS 0.8820
264 3HR 0.8820
265 23W 0.8818
266 FOA 0.8814
267 92Z 0.8814
268 MRY 0.8811
269 HHQ 0.8810
270 FP2 0.8810
271 TCV 0.8807
272 4H2 0.8804
273 AKB 0.8801
274 PLQ 0.8801
275 76X 0.8798
276 LER 0.8798
277 1AN 0.8797
278 HEW 0.8795
279 8LG 0.8794
280 MAK 0.8789
281 L89 0.8784
282 M3T 0.8782
283 1DU 0.8781
284 2AF 0.8779
285 93Q 0.8777
286 273 0.8774
287 SSN 0.8765
288 DA1 0.8762
289 FPN 0.8762
290 AF3 0.8762
291 IVA 0.8756
292 XPO 0.8742
293 RSF 0.8737
294 8X3 0.8733
295 R2B 0.8730
296 TAU 0.8727
297 YHO 0.8726
298 938 0.8725
299 CP 0.8723
300 OXE 0.8710
301 PYF 0.8709
302 PUT 0.8708
303 R1X 0.8695
304 1XX 0.8691
305 MMQ 0.8687
306 HTS 0.8687
307 9X7 0.8685
308 EDG 0.8670
309 J1Z 0.8665
310 2CH 0.8658
311 HCS 0.8658
312 EDO 0.8656
313 6X8 0.8654
314 1AB 0.8651
315 CRD 0.8636
316 POA 0.8622
317 LDU 0.8604
318 ACT 0.8604
319 JZ0 0.8595
320 ACM 0.8594
321 2PO 0.8581
322 ASP 0.8575
323 BEF 0.8561
324 DTU 0.8558
325 SEY 0.8557
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UBW; Ligand: 6SP; 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: 3ubw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UBW; Ligand: 6SP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ubw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UBW; Ligand: 6SP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ubw.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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