Receptor
PDB id Resolution Class Description Source Keywords
2VL8 2.31 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP, C ASTANOSPERMINE AND CALCIUM ION CLOSTRIDIUM SORDELLII TOXIN GLYCOSYLTRANSFERASE
Ref.: INHIBITION OF THE GLUCOSYLTRANSFERASE ACTIVITY OF CLOSTRIDIAL RHO/RAS-GLUCOSYLATING TOXINS BY CASTANOSPERMINE. FEBS LETT. V. 582 2277 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1545;
A:1546;
A:1547;
B:1545;
C:1545;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CTS A:1544;
B:1544;
C:1544;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 ~ 30 uM
189.209 C8 H15 N O4 C1C[N...
UDP A:1543;
B:1543;
C:1543;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VL8 2.31 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP, C ASTANOSPERMINE AND CALCIUM ION CLOSTRIDIUM SORDELLII TOXIN GLYCOSYLTRANSFERASE
Ref.: INHIBITION OF THE GLUCOSYLTRANSFERASE ACTIVITY OF CLOSTRIDIAL RHO/RAS-GLUCOSYLATING TOXINS BY CASTANOSPERMINE. FEBS LETT. V. 582 2277 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 2VKH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 2VL8 ic50 ~ 30 uM CTS C8 H15 N O4 C1C[N@]2C[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5UQM - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
2 2BVL - GLC C6 H12 O6 C([C@@H]1[....
3 5UQN - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
4 2VKH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2VL8 ic50 ~ 30 uM CTS C8 H15 N O4 C1C[N@]2C[....
6 5UQK - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5UQM - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
2 2BVL - GLC C6 H12 O6 C([C@@H]1[....
3 5UQN - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
4 2VKH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2VL8 ic50 ~ 30 uM CTS C8 H15 N O4 C1C[N@]2C[....
6 4DMW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 5UQL - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
8 5UQK - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CTS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CTS 1 1
2 X05 0.55 0.897959
3 SWA 0.487179 0.977778
4 GC2 0.44898 0.814815
Ligand no: 2; Ligand: UDP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 U5F 0.878788 1
4 UNP 0.8 0.970149
5 U5P 0.78125 0.984615
6 U 0.78125 0.984615
7 UPU 0.72973 0.940298
8 2KH 0.722222 0.970149
9 44P 0.720588 0.955882
10 UFM 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GDU 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UDH 0.705128 0.864865
17 UPP 0.705128 0.941176
18 UFG 0.691358 0.888889
19 U2F 0.691358 0.888889
20 UPF 0.691358 0.888889
21 AWU 0.6875 0.941176
22 UAD 0.670732 0.941176
23 UDX 0.670732 0.941176
24 3UC 0.658824 0.888889
25 UGA 0.654762 0.955224
26 UGB 0.654762 0.955224
27 USQ 0.654762 0.820513
28 G3N 0.647059 0.914286
29 UGF 0.647059 0.901408
30 UDM 0.636364 0.914286
31 URI 0.625 0.863636
32 UD1 0.622222 0.927536
33 UD2 0.622222 0.927536
34 UDP GAL 0.611765 0.913043
35 Y6W 0.607143 0.888889
36 CDP 0.605263 0.942029
37 HP7 0.591398 0.941176
38 UD7 0.591398 0.927536
39 MJZ 0.585106 0.914286
40 IUG 0.583333 0.810127
41 HWU 0.578947 0.901408
42 UD4 0.578947 0.914286
43 12V 0.578947 0.901408
44 F5G 0.578947 0.927536
45 F5P 0.578947 0.914286
46 CJB 0.573529 0.820895
47 UDZ 0.571429 0.853333
48 DUD 0.571429 0.913043
49 UP5 0.571429 0.853333
50 EPZ 0.56 0.914286
51 5GW 0.559524 0.942029
52 EEB 0.554455 0.901408
53 EPU 0.554455 0.901408
54 UA3 0.547945 0.939394
55 U3P 0.547945 0.939394
56 4TC 0.544554 0.831169
57 HF4 0.54321 0.942029
58 CTP 0.54321 0.942029
59 BUP 0.536585 0.928571
60 CSV 0.531915 0.851351
61 CSQ 0.531915 0.851351
62 DUT 0.52439 0.913043
63 4GW 0.516484 0.915493
64 UMA 0.513761 0.914286
65 U4S 0.513158 0.753425
66 U2P 0.506667 0.954545
67 U3S 0.5 0.753425
68 U2S 0.5 0.767123
69 FZK 0.494253 0.777778
70 PUP 0.48913 0.913043
71 U21 0.486957 0.810127
72 U20 0.486957 0.810127
73 U22 0.486957 0.790123
74 DKX 0.486486 0.746479
75 U1S 0.482759 0.75
76 0RC 0.482759 0.864865
77 2QR 0.478632 0.822785
78 5FU 0.474359 0.914286
79 LSU 0.472527 0.738095
80 8OD 0.47191 0.851351
81 C5G 0.468085 0.888889
82 7XL 0.465909 0.888889
83 UMF 0.461538 0.857143
84 G8D 0.460674 0.855263
85 2TM 0.45977 0.902778
86 UTP U U U 0.456522 0.895522
87 YSU 0.453608 0.746988
88 2TU 0.452055 0.774648
89 4RA 0.451613 0.855263
90 C2G 0.450549 0.901408
91 DU 0.45 0.898551
92 CAR 0.45 0.927536
93 UMP 0.45 0.898551
94 C5P 0.45 0.927536
95 C 0.45 0.927536
96 UAG 0.448 0.864865
97 CDC 0.446809 0.777778
98 5BU 0.444444 0.914286
99 UD0 0.444444 0.844156
100 N3E 0.440476 0.733333
101 UC5 0.440476 0.9
102 UUA 0.438356 0.772727
103 DUP 0.431818 0.887324
104 2GW 0.431373 0.901408
105 M7G 0.430108 0.780488
106 CNU 0.428571 0.927536
107 CDM 0.427083 0.842105
108 H6Y 0.425532 0.851351
109 16B 0.421687 0.888889
110 S5P 0.419753 0.915493
111 8GT 0.419355 0.855263
112 CDP MG 0.418605 0.885714
113 CXY 0.418367 0.888889
114 UPA 0.418182 0.842105
115 U2G 0.410714 0.822785
116 UML 0.408759 0.810127
117 UP6 0.407407 0.871429
118 M7M 0.40625 0.771084
119 1GW 0.40367 0.864865
120 BMP 0.402439 0.970149
121 APU 0.401786 0.828947
122 PMP UD1 0.401575 0.7875
123 DUT MG 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: CTS; Similar ligands found: 1143
No: Ligand Similarity coefficient
1 6LW 1.0000
2 HQD 0.9775
3 X09 0.9758
4 4HC 0.9607
5 MT5 0.9604
6 GUN 0.9577
7 9DG 0.9575
8 XAN 0.9573
9 TEP 0.9568
10 AZ9 0.9557
11 GOX 0.9557
12 B57 0.9544
13 3FH 0.9541
14 0N7 0.9536
15 URC 0.9530
16 ASC 0.9529
17 44V 0.9521
18 J9W 0.9510
19 8S0 0.9503
20 9MG 0.9498
21 5QX 0.9495
22 CFF 0.9492
23 K5W 0.9483
24 ASO 0.9480
25 M1Q 0.9479
26 5CU 0.9472
27 3HA 0.9471
28 4AA 0.9470
29 6ME 0.9468
30 SVD 0.9467
31 BGC 0.9465
32 M0Q 0.9460
33 G3F 0.9459
34 3WA 0.9456
35 1LQ 0.9448
36 DBH 0.9446
37 GLC 0.9445
38 VK3 0.9437
39 DOB 0.9435
40 7VS 0.9432
41 QX2 0.9423
42 FA0 0.9415
43 RPQ 0.9410
44 BDP 0.9410
45 GRE 0.9410
46 QWW 0.9409
47 AZ8 0.9404
48 DHQ 0.9402
49 K17 0.9402
50 25W 0.9399
51 KJH 0.9398
52 PE0 0.9396
53 SAL 0.9396
54 NOJ 0.9395
55 8TX 0.9389
56 NGO 0.9388
57 Q24 0.9387
58 M0W 0.9386
59 QX4 0.9386
60 EKZ 0.9385
61 7W1 0.9383
62 PRZ 0.9383
63 AJ2 0.9380
64 GCS 0.9378
65 GAL 0.9378
66 M5K 0.9377
67 M6N 0.9376
68 AQO 0.9371
69 7B4 0.9371
70 DMD 0.9370
71 PFB 0.9369
72 G6D 0.9367
73 5NU 0.9367
74 PA1 0.9363
75 12Q 0.9361
76 BE2 0.9360
77 ES6 0.9357
78 BHA 0.9353
79 1U6 0.9351
80 I3A 0.9350
81 B62 0.9349
82 MEW 0.9348
83 3ID 0.9346
84 HHA 0.9344
85 5RN 0.9344
86 24W 0.9342
87 9KT 0.9342
88 5QY 0.9342
89 3PF 0.9342
90 SE2 0.9338
91 LGC 0.9338
92 G3E 0.9336
93 HQT 0.9335
94 3CU 0.9333
95 AZA 0.9331
96 IGA 0.9330
97 0P6 0.9330
98 LI6 0.9328
99 GLA 0.9328
100 TOF 0.9327
101 141 0.9326
102 6AP 0.9323
103 GTQ 0.9323
104 BMA 0.9323
105 AZG 0.9322
106 ZZZ 0.9322
107 3F0 0.9322
108 3U4 0.9320
109 5RG 0.9320
110 A2F 0.9319
111 NDH 0.9319
112 GDE 0.9319
113 BTE 0.9316
114 D48 0.9313
115 SOE 0.9313
116 3M0 0.9313
117 67N 0.9310
118 EA1 0.9310
119 KBB 0.9309
120 YH7 0.9303
121 YIO 0.9303
122 TTL 0.9303
123 RHU 0.9302
124 DRL 0.9301
125 ISN 0.9301
126 SKA 0.9299
127 G2F 0.9298
128 GCU 0.9298
129 Q88 0.9298
130 DQU 0.9298
131 LSA 0.9297
132 KKN 0.9295
133 290 0.9294
134 97T 0.9294
135 HLZ 0.9293
136 5WV 0.9293
137 VNL 0.9292
138 J5I 0.9291
139 KJY 0.9289
140 IFP 0.9289
141 6GU 0.9288
142 149 0.9287
143 A13 0.9287
144 5Q0 0.9286
145 5SG 0.9286
146 HH5 0.9284
147 ZXD 0.9283
148 JKE 0.9283
149 DX4 0.9281
150 F05 0.9281
151 32X 0.9280
152 7HQ 0.9280
153 GYE 0.9278
154 FBT 0.9277
155 NGT 0.9274
156 NGW 0.9274
157 5OB 0.9274
158 M1E 0.9273
159 NOY 0.9272
160 92K 0.9272
161 HQY 0.9271
162 1NP 0.9269
163 ES1 0.9269
164 4M0 0.9269
165 CFP 0.9267
166 1SQ 0.9267
167 6F0 0.9267
168 1XM 0.9266
169 MYJ 0.9266
170 CTL 0.9265
171 1LM 0.9264
172 PHE 0.9262
173 LCN 0.9260
174 BOA 0.9258
175 5IQ 0.9258
176 PYQ 0.9258
177 DQN 0.9258
178 R8V 0.9256
179 ES7 0.9256
180 N5J 0.9255
181 LT2 0.9253
182 329 0.9252
183 UAN 0.9250
184 HXX 0.9250
185 RXA 0.9249
186 JBK 0.9249
187 3IT 0.9249
188 M1A 0.9248
189 O72 0.9248
190 OA3 0.9248
191 SHG 0.9248
192 CN0 0.9247
193 7ZE 0.9247
194 4NC 0.9244
195 Q6T 0.9244
196 4YS 0.9243
197 ISE 0.9243
198 SHA 0.9242
199 SJ5 0.9240
200 FE DB1 0.9240
201 FDB 0.9240
202 BZ3 0.9240
203 EXO 0.9238
204 0W8 0.9238
205 JPZ 0.9238
206 2FQ 0.9236
207 X6X 0.9236
208 GYP 0.9236
209 2FG 0.9235
210 JBH 0.9234
211 GAF 0.9234
212 HJP 0.9233
213 BZX 0.9233
214 680 0.9233
215 209 0.9232
216 MO8 0.9232
217 HIO 0.9231
218 1GN 0.9231
219 5RO 0.9230
220 IFL 0.9229
221 3DO 0.9229
222 NQ 0.9229
223 7ME 0.9227
224 FBV 0.9227
225 COU 0.9225
226 948 0.9225
227 DBJ 0.9225
228 NDM 0.9225
229 2H5 0.9223
230 P9P 0.9223
231 7W4 0.9222
232 4NG 0.9222
233 54G 0.9222
234 IJZ 0.9222
235 BEA 0.9221
236 BTY 0.9220
237 ADE 0.9220
238 KBG 0.9219
239 DHB 0.9218
240 JUG 0.9216
241 495 0.9216
242 TAG 0.9215
243 G1O 0.9213
244 3RK 0.9213
245 B60 0.9210
246 XAZ 0.9209
247 0CU 0.9209
248 75K 0.9207
249 MT0 0.9207
250 AFR 0.9206
251 RM4 0.9206
252 93K 0.9206
253 7HP 0.9205
254 03V 0.9204
255 ISD 0.9204
256 QXW 0.9204
257 6M1 0.9203
258 PHH 0.9202
259 5M0 0.9202
260 ALL 0.9201
261 INO 0.9201
262 5JQ 0.9200
263 JBQ 0.9200
264 EYK 0.9200
265 A7W 0.9199
266 FH2 0.9198
267 APZ 0.9197
268 JB5 0.9195
269 JXZ 0.9194
270 5WY 0.9192
271 HIS 0.9192
272 6VD 0.9192
273 GLT 0.9192
274 ICO 0.9192
275 4XH 0.9191
276 B55 0.9190
277 OCH 0.9190
278 FDK 0.9190
279 FRU 0.9190
280 MUA 0.9189
281 M1H 0.9189
282 DIN 0.9188
283 HZQ 0.9188
284 G5V 0.9187
285 PXL 0.9187
286 2AQ 0.9185
287 RAM 0.9182
288 H42 0.9180
289 ADA 0.9180
290 J9Q 0.9180
291 MWP 0.9180
292 X0V 0.9179
293 H33 0.9178
294 AKH 0.9178
295 HH8 0.9177
296 HPA 0.9177
297 GLF 0.9175
298 2CK 0.9175
299 3Z8 0.9175
300 94B 0.9174
301 5FN 0.9174
302 FUL 0.9173
303 QSH 0.9172
304 IV2 0.9170
305 ES5 0.9170
306 JXN 0.9170
307 EQT 0.9169
308 DBX 0.9169
309 FB1 0.9169
310 GTR 0.9169
311 F5B 0.9168
312 E7Z 0.9168
313 HKD 0.9167
314 NAG 0.9166
315 XXR 0.9165
316 2EC 0.9164
317 MAQ 0.9163
318 B53 0.9163
319 7D2 0.9161
320 8WO 0.9160
321 8CM 0.9159
322 4RW 0.9159
323 QWN 0.9157
324 Z5P 0.9157
325 NMJ 0.9157
326 JTH 0.9157
327 6M4 0.9156
328 TBS 0.9156
329 2FY 0.9155
330 FLV 0.9154
331 4FS 0.9153
332 52C 0.9153
333 293 0.9153
334 QSB 0.9152
335 OXC 0.9152
336 BCP 0.9151
337 ORO 0.9151
338 37T 0.9150
339 XHP 0.9150
340 ADZ 0.9150
341 2ZV 0.9150
342 4JQ 0.9150
343 INE 0.9150
344 GTL 0.9148
345 INS 0.9146
346 7VJ 0.9145
347 KFH 0.9145
348 K32 0.9143
349 3SK 0.9142
350 51R 0.9142
351 KT7 0.9141
352 3HB 0.9141
353 GCB 0.9140
354 MAN 0.9139
355 7B3 0.9138
356 SYV 0.9137
357 XCZ 0.9136
358 9TZ 0.9136
359 6RQ 0.9134
360 2ZQ 0.9133
361 MBG 0.9133
362 AJV 0.9130
363 GAB 0.9130
364 0FO 0.9129
365 PXM 0.9126
366 2D0 0.9125
367 3OC 0.9125
368 PRF 0.9124
369 JXW 0.9123
370 44W 0.9123
371 12B 0.9121
372 QBK 0.9121
373 OTW 0.9121
374 4ME 0.9121
375 8IG 0.9120
376 KUF 0.9120
377 SKM 0.9119
378 42C 0.9119
379 UEG 0.9117
380 DHK 0.9117
381 CHB 0.9117
382 FOT 0.9117
383 XX2 0.9116
384 0FN 0.9116
385 KJU 0.9115
386 4SV 0.9114
387 SVN 0.9112
388 5GU 0.9112
389 ES0 0.9111
390 EMZ 0.9111
391 5DI 0.9111
392 5JL 0.9110
393 1XN 0.9110
394 4MU 0.9110
395 8XQ 0.9110
396 BNT 0.9110
397 15L 0.9109
398 UQ 0.9109
399 MRW 0.9109
400 FCB 0.9109
401 2AK 0.9108
402 MS9 0.9107
403 XQ0 0.9105
404 JBE 0.9105
405 N2Z 0.9104
406 9FL 0.9103
407 39A 0.9101
408 6AI 0.9101
409 0F9 0.9101
410 CWS 0.9100
411 4FH 0.9100
412 NNO 0.9099
413 B0D 0.9099
414 WOO 0.9098
415 1WD 0.9098
416 CLZ 0.9098
417 1P7 0.9097
418 GXY 0.9097
419 XYP 0.9097
420 ONR 0.9096
421 6CS 0.9096
422 AMG 0.9096
423 TVP 0.9095
424 FUC 0.9095
425 3MG 0.9093
426 82I 0.9093
427 FCA 0.9092
428 GIM 0.9090
429 FYU 0.9090
430 RNS 0.9086
431 LNR 0.9085
432 5H1 0.9083
433 14O 0.9082
434 EVA 0.9082
435 F31 0.9082
436 BK9 0.9081
437 NDG 0.9081
438 LXC 0.9080
439 CWM 0.9079
440 4JT 0.9078
441 I6G 0.9078
442 53C 0.9077
443 MVN 0.9076
444 5WX 0.9076
445 F60 0.9075
446 2HO 0.9075
447 VNJ 0.9075
448 4A3 0.9072
449 D3M 0.9072
450 FHB 0.9070
451 MA3 0.9070
452 6M9 0.9070
453 C2Y 0.9070
454 BDF 0.9069
455 IPB 0.9067
456 7WV 0.9067
457 RM1 0.9067
458 NTM 0.9067
459 4YO 0.9067
460 10L 0.9066
461 5MI 0.9064
462 3AB 0.9063
463 2ZM 0.9063
464 IHB 0.9062
465 86J 0.9061
466 9TW 0.9059
467 5MB 0.9057
468 BHO 0.9057
469 2K4 0.9056
470 6XI 0.9054
471 TTY 0.9053
472 NPY 0.9052
473 NID 0.9051
474 7NI 0.9051
475 3HM 0.9051
476 GCV 0.9050
477 46P 0.9049
478 XYS 0.9049
479 23J 0.9048
480 D07 0.9048
481 7WA 0.9047
482 PQ0 0.9047
483 QUZ 0.9046
484 JAE 0.9044
485 5MK 0.9044
486 9EW 0.9042
487 CH9 0.9042
488 49O 0.9042
489 FDR 0.9042
490 CLW 0.9041
491 FBW 0.9041
492 ARB 0.9041
493 ROI 0.9040
494 DQA 0.9039
495 BSP 0.9038
496 HLR 0.9038
497 5B1 0.9036
498 11S 0.9036
499 I1N 0.9036
500 MNM 0.9035
501 UFV 0.9035
502 GCO 0.9034
503 J9T 0.9034
504 N3W 0.9032
505 MFB 0.9032
506 4P5 0.9032
507 0RW 0.9031
508 KLW 0.9030
509 Q7A 0.9030
510 LT8 0.9029
511 XXP 0.9029
512 ES9 0.9027
513 MZB 0.9027
514 2AL 0.9025
515 HFB 0.9024
516 5XC 0.9024
517 0HO 0.9023
518 1KP 0.9022
519 I1E 0.9021
520 NSG 0.9020
521 GNL 0.9020
522 2HQ 0.9020
523 BP1 0.9020
524 UNC 0.9019
525 15E 0.9019
526 SRT 0.9018
527 F12 0.9018
528 4PW 0.9018
529 0JD 0.9017
530 ABI 0.9017
531 3DM 0.9015
532 39U 0.9014
533 8ZE 0.9012
534 LOG 0.9012
535 PEY 0.9011
536 GOG 0.9011
537 FA3 0.9011
538 6MP 0.9010
539 GIO 0.9007
540 GT0 0.9006
541 PHT 0.9006
542 ET2 0.9005
543 GC3 0.9004
544 HA7 0.9004
545 4Z4 0.9003
546 K6X 0.9003
547 ES2 0.9003
548 IFM 0.9001
549 NK1 0.9001
550 5HN 0.9000
551 06B 0.8999
552 EDR 0.8999
553 AHR 0.8998
554 FK1 0.8998
555 SXS 0.8996
556 IPZ 0.8996
557 GZL 0.8994
558 CBF 0.8993
559 GTZ 0.8993
560 FHN 0.8991
561 KIB 0.8991
562 2LY 0.8990
563 DMJ 0.8988
564 2GS 0.8987
565 C2U 0.8987
566 N2I 0.8986
567 ZWZ 0.8986
568 FA1 0.8984
569 SX1 0.8984
570 9HX 0.8983
571 SWD 0.8983
572 BCU 0.8982
573 9DA 0.8981
574 H4N 0.8981
575 SOR 0.8981
576 LAO 0.8980
577 4CS 0.8979
578 3NT 0.8979
579 ES4 0.8978
580 4XV 0.8978
581 36R 0.8977
582 DOR 0.8977
583 NTZ 0.8976
584 LYL 0.8975
585 L3Q 0.8974
586 NPO 0.8974
587 1P8 0.8973
588 ZZ8 0.8973
589 PZI 0.8973
590 HNQ 0.8972
591 42A 0.8972
592 LZM 0.8970
593 K8X 0.8967
594 LKA 0.8967
595 DNC 0.8967
596 SRO 0.8966
597 GJS 0.8964
598 ODO 0.8964
599 GSY 0.8962
600 4TU 0.8962
601 X8D 0.8959
602 QPR 0.8959
603 DPZ 0.8958
604 XQG 0.8958
605 DIU 0.8957
606 BZJ 0.8957
607 1IT 0.8956
608 8EZ 0.8956
609 GCW 0.8955
610 95Z 0.8955
611 GLO 0.8955
612 PHB 0.8955
613 L99 0.8955
614 ISZ 0.8953
615 069 0.8953
616 GLG 0.8952
617 MMA 0.8952
618 7MH 0.8952
619 92P 0.8951
620 8WT 0.8951
621 4TE 0.8950
622 DGJ 0.8950
623 XM0 0.8950
624 AEZ 0.8949
625 39O 0.8948
626 PX7 0.8948
627 GM7 0.8948
628 M2K 0.8948
629 XX3 0.8947
630 MVL 0.8947
631 H6B 0.8946
632 NCT 0.8946
633 GIV 0.8945
634 6NT 0.8945
635 4VY 0.8944
636 4SX 0.8944
637 H62 0.8943
638 MR1 0.8943
639 8NY 0.8942
640 V55 0.8942
641 PJW 0.8942
642 OVV 0.8941
643 RNT 0.8940
644 9CA 0.8940
645 0HN 0.8940
646 CFI 0.8939
647 3MB 0.8939
648 3A9 0.8939
649 ZVO 0.8938
650 NK2 0.8938
651 LTM 0.8937
652 ABV 0.8937
653 PCI 0.8936
654 PM6 0.8936
655 K22 0.8936
656 226 0.8936
657 AIN 0.8936
658 ENL 0.8935
659 N8Y 0.8934
660 5CL 0.8934
661 289 0.8934
662 GXL 0.8933
663 DX3 0.8933
664 270 0.8932
665 AX7 0.8932
666 F1A 0.8932
667 GV9 0.8931
668 XXG 0.8931
669 8GC 0.8930
670 7MK 0.8930
671 GDL 0.8929
672 MQN 0.8926
673 OMD 0.8926
674 T6C 0.8926
675 1WG 0.8924
676 3NY 0.8924
677 4HM 0.8923
678 3BZ 0.8923
679 1F1 0.8923
680 IBF 0.8922
681 TAR 0.8922
682 APS 0.8920
683 2CQ 0.8920
684 FGZ 0.8920
685 WCE 0.8920
686 JG8 0.8920
687 G12 0.8919
688 FCR 0.8918
689 URQ 0.8918
690 23A 0.8917
691 XQK 0.8917
692 HMH 0.8917
693 8OZ 0.8915
694 JU2 0.8914
695 9PY 0.8914
696 IDM 0.8914
697 EUG 0.8914
698 AZF 0.8913
699 OW4 0.8912
700 DNF 0.8910
701 FUF 0.8909
702 HMU 0.8908
703 FX1 0.8908
704 KOJ 0.8906
705 PH2 0.8906
706 HTP 0.8904
707 ADK 0.8904
708 QAS 0.8904
709 OHP 0.8904
710 FBB 0.8903
711 JAW 0.8903
712 THA 0.8902
713 YQA 0.8902
714 OXZ 0.8901
715 A29 0.8901
716 YSO 0.8900
717 7N0 0.8900
718 3AL 0.8898
719 MIG 0.8895
720 150 0.8894
721 K2T 0.8894
722 DHS 0.8893
723 HHR 0.8893
724 5WU 0.8892
725 7WR 0.8892
726 4XS 0.8892
727 3XX 0.8892
728 2MN 0.8890
729 ZB1 0.8890
730 1P3 0.8889
731 5VM 0.8888
732 173 0.8888
733 G4D 0.8887
734 DFB 0.8886
735 0MK 0.8886
736 FSW 0.8885
737 K3Q 0.8883
738 8H8 0.8883
739 PAB 0.8883
740 2PG 0.8882
741 KYA 0.8882
742 091 0.8881
743 TH7 0.8880
744 0TU 0.8880
745 2MI 0.8879
746 ZYR 0.8878
747 20J 0.8878
748 9RW 0.8876
749 JKZ 0.8876
750 FBG 0.8873
751 F3B 0.8873
752 DIE 0.8873
753 D1X 0.8872
754 OAA 0.8872
755 ARP 0.8871
756 FUD 0.8871
757 6NI 0.8871
758 SMN 0.8870
759 AW5 0.8870
760 TGX 0.8868
761 PBZ 0.8867
762 BRT 0.8866
763 6BL 0.8864
764 KYD 0.8864
765 SYA 0.8862
766 L7T 0.8860
767 TWO 0.8860
768 M74 0.8860
769 3MA 0.8860
770 2F6 0.8859
771 2KA 0.8859
772 TT4 0.8859
773 EPR 0.8858
774 Q71 0.8857
775 CGB 0.8856
776 TNX 0.8856
777 NIZ 0.8854
778 GZ8 0.8853
779 1A7 0.8853
780 3BU 0.8853
781 ZZT 0.8852
782 BBF 0.8851
783 QAT 0.8851
784 VGD 0.8850
785 BCF 0.8849
786 P72 0.8848
787 TSS 0.8846
788 OVM 0.8846
789 4P0 0.8843
790 64K 0.8842
791 F0J 0.8841
792 JRB 0.8841
793 QIC 0.8840
794 3SL 0.8840
795 MJ2 0.8839
796 B5D 0.8838
797 9LI 0.8838
798 REL 0.8838
799 SAN 0.8838
800 ARA 0.8838
801 4KL 0.8838
802 GRO 0.8837
803 5NS 0.8835
804 AA 0.8834
805 45C 0.8833
806 RMN 0.8833
807 ROR 0.8833
808 X0W 0.8833
809 SR4 0.8832
810 8W9 0.8830
811 JYB 0.8829
812 HDL 0.8829
813 5NE 0.8829
814 EN1 0.8828
815 IF7 0.8826
816 9R5 0.8826
817 XSP 0.8825
818 BEZ 0.8825
819 LDR 0.8823
820 IND 0.8823
821 PDC 0.8823
822 IUP 0.8821
823 BPU 0.8820
824 HDH 0.8820
825 VXX 0.8820
826 KGK 0.8820
827 BPY 0.8819
828 JZ9 0.8819
829 CIP 0.8819
830 263 0.8818
831 2CL 0.8818
832 BEN 0.8818
833 AAS 0.8817
834 NCA 0.8817
835 GJP 0.8815
836 AJY 0.8813
837 SYG 0.8813
838 24B 0.8812
839 JZ3 0.8811
840 28N 0.8810
841 1DW 0.8810
842 AC6 0.8810
843 NBZ 0.8810
844 UFO 0.8809
845 4RU 0.8809
846 0LH 0.8808
847 AP4 0.8808
848 15N 0.8808
849 RIB 0.8807
850 NHG 0.8807
851 SEP 0.8804
852 HX3 0.8801
853 K2P 0.8800
854 ABE 0.8800
855 1WC 0.8800
856 K6H 0.8800
857 CWJ 0.8799
858 NIO 0.8798
859 30G 0.8797
860 F81 0.8797
861 URF 0.8797
862 BZI 0.8795
863 BAM 0.8795
864 RUY 0.8794
865 FBU 0.8794
866 SFU 0.8793
867 PPY 0.8793
868 4XR 0.8792
869 3R6 0.8791
870 XIY 0.8791
871 T9G 0.8790
872 ANF 0.8789
873 DEN 0.8788
874 1Y6 0.8788
875 KDV 0.8787
876 AY4 0.8787
877 PCA 0.8787
878 269 0.8786
879 XYL 0.8785
880 RB5 0.8785
881 1LN 0.8784
882 UNU 0.8783
883 F9Y 0.8782
884 KIA 0.8782
885 2K8 0.8782
886 WBU 0.8782
887 GVG 0.8781
888 TLA 0.8781
889 PBC 0.8781
890 TC7 0.8780
891 PEZ 0.8780
892 5NI 0.8778
893 NVU 0.8778
894 SDD 0.8778
895 KIF 0.8777
896 2HU 0.8777
897 FB2 0.8777
898 4M4 0.8776
899 1SS 0.8769
900 LZ1 0.8768
901 SLC 0.8768
902 NTN 0.8768
903 3GQ 0.8768
904 KDG 0.8766
905 94W 0.8766
906 PZA 0.8765
907 0R1 0.8763
908 HQJ 0.8763
909 BNS 0.8762
910 DA4 0.8762
911 MPI 0.8761
912 VC2 0.8761
913 HBD 0.8760
914 6PC 0.8759
915 5HY 0.8759
916 BZF 0.8758
917 OAF 0.8758
918 F69 0.8758
919 MFU 0.8757
920 PSV 0.8756
921 2A9 0.8754
922 GVH 0.8754
923 HC4 0.8753
924 4JP 0.8753
925 IT9 0.8753
926 4MA 0.8753
927 QUS 0.8752
928 K37 0.8752
929 57O 0.8752
930 261 0.8751
931 PMB 0.8751
932 F4Z 0.8750
933 9AP 0.8750
934 MXN 0.8750
935 DEE 0.8749
936 0XT 0.8749
937 60P 0.8749
938 PSJ 0.8747
939 FBM 0.8747
940 1SV 0.8746
941 MHK 0.8746
942 TIY 0.8744
943 DS0 0.8744
944 SF9 0.8744
945 VOH 0.8743
946 JIF 0.8742
947 GOO 0.8740
948 A09 0.8740
949 DNA 0.8740
950 JFD 0.8737
951 ESP 0.8737
952 MNN 0.8736
953 GAG 0.8734
954 1XA 0.8734
955 2O6 0.8734
956 PEP 0.8733
957 2XX 0.8729
958 JDN 0.8729
959 L5V 0.8729
960 APG 0.8728
961 0CT 0.8727
962 LRH 0.8727
963 PD2 0.8727
964 PFL 0.8726
965 LDP 0.8725
966 M5N 0.8725
967 JLZ 0.8724
968 RBL 0.8724
969 1DJ 0.8720
970 1HN 0.8720
971 Q77 0.8719
972 FP1 0.8716
973 1PT 0.8716
974 LZ2 0.8716
975 SS1 0.8715
976 3R9 0.8713
977 9RH 0.8711
978 HA5 0.8707
979 E7S 0.8707
980 3QV 0.8705
981 PHU 0.8705
982 EV0 0.8704
983 TFU 0.8703
984 EJZ 0.8701
985 RSF 0.8701
986 2D3 0.8700
987 N8P 0.8699
988 JND 0.8699
989 PBA 0.8697
990 JB8 0.8697
991 EOL 0.8694
992 FA6 0.8693
993 TIU 0.8692
994 KDF 0.8692
995 TSU 0.8692
996 41K 0.8691
997 RIP 0.8690
998 IP0 0.8689
999 1X7 0.8687
1000 H5B 0.8687
1001 J01 0.8687
1002 HHT 0.8686
1003 NK 0.8686
1004 TBP 0.8685
1005 6KX 0.8684
1006 826 0.8684
1007 FLC 0.8684
1008 K34 0.8684
1009 7MX 0.8683
1010 4ZC 0.8681
1011 QNA 0.8680
1012 QSC 0.8680
1013 1DV 0.8680
1014 1M2 0.8679
1015 RJY 0.8678
1016 R8A 0.8678
1017 46M 0.8677
1018 64C 0.8677
1019 L5E 0.8676
1020 HBO 0.8673
1021 E3D 0.8671
1022 260 0.8670
1023 3C1 0.8670
1024 3C2 0.8670
1025 0RN 0.8669
1026 MPK 0.8667
1027 DFU 0.8667
1028 HF2 0.8666
1029 YCP 0.8666
1030 AN3 0.8664
1031 NCD 0.8663
1032 0TR 0.8660
1033 2C2 0.8660
1034 18N 0.8660
1035 N7P 0.8660
1036 27B 0.8659
1037 HY3 0.8659
1038 FXH 0.8659
1039 PAF 0.8659
1040 AH8 0.8657
1041 AGK 0.8657
1042 XBZ 0.8656
1043 F9P 0.8655
1044 9ZE 0.8653
1045 9FE 0.8652
1046 FPK 0.8651
1047 SIF 0.8650
1048 QBS 0.8648
1049 3TJ 0.8648
1050 GLY PRO 0.8647
1051 MOK 0.8647
1052 S76 0.8646
1053 NSP 0.8646
1054 VGL 0.8646
1055 TEO 0.8646
1056 286 0.8646
1057 SW7 0.8645
1058 9FQ 0.8645
1059 4WL 0.8645
1060 XUL 0.8641
1061 42J 0.8641
1062 GF4 0.8640
1063 6OT 0.8639
1064 MCT 0.8639
1065 G1P 0.8639
1066 JF6 0.8639
1067 1QP 0.8639
1068 CEG 0.8636
1069 67X 0.8635
1070 W81 0.8634
1071 2BG 0.8634
1072 OTD 0.8633
1073 AKG 0.8631
1074 6TZ 0.8630
1075 QY9 0.8630
1076 3J8 0.8629
1077 CAX 0.8627
1078 MSN 0.8626
1079 4ZA 0.8625
1080 4ZE 0.8625
1081 O2A 0.8625
1082 OTR 0.8625
1083 PIM 0.8620
1084 WOT 0.8620
1085 717 0.8618
1086 HFA 0.8615
1087 F34 0.8614
1088 8GK 0.8613
1089 B2Y 0.8613
1090 7CZ 0.8611
1091 9KH 0.8610
1092 PAC 0.8609
1093 EXD 0.8609
1094 TDR 0.8606
1095 6JN 0.8606
1096 5VJ 0.8605
1097 CDI 0.8604
1098 KW8 0.8603
1099 6W6 0.8602
1100 8HC 0.8600
1101 HLD 0.8600
1102 AMH 0.8599
1103 FAN 0.8598
1104 ARW 0.8597
1105 R9Y 0.8595
1106 E5X 0.8595
1107 DMV 0.8595
1108 FUB 0.8593
1109 13P 0.8593
1110 4AN 0.8591
1111 6R8 0.8591
1112 ASN 0.8591
1113 KPL 0.8590
1114 8XL 0.8588
1115 MRZ 0.8587
1116 BCK 0.8586
1117 NOK 0.8585
1118 ECG 0.8585
1119 4V6 0.8585
1120 2L3 0.8580
1121 DE3 0.8579
1122 ICB 0.8577
1123 2TQ 0.8577
1124 5VL 0.8570
1125 AC0 0.8570
1126 KJ5 0.8570
1127 KTJ 0.8569
1128 8MO 0.8568
1129 TH0 0.8568
1130 CIT 0.8564
1131 OK7 0.8562
1132 SEJ 0.8558
1133 PBR 0.8550
1134 174 0.8550
1135 6X9 0.8549
1136 45L 0.8545
1137 1KH 0.8545
1138 HQ9 0.8540
1139 3QM 0.8536
1140 XM5 0.8532
1141 3C4 0.8532
1142 0GZ 0.8526
1143 URP 0.8520
Ligand no: 2; Ligand: UDP; Similar ligands found: 55
No: Ligand Similarity coefficient
1 YYY 0.9739
2 TYD 0.9699
3 TBD 0.9623
4 GCQ 0.9509
5 ADP 0.9410
6 DUN 0.9317
7 D4D 0.9237
8 ADX 0.9224
9 AU1 0.9218
10 AP2 0.9215
11 SON 0.9211
12 GDP 0.9193
13 DAT 0.9189
14 IDP 0.9155
15 PRX 0.9148
16 ADP MG 0.9122
17 BEF ADP 0.9122
18 AN2 0.9115
19 A12 0.9102
20 M33 0.9098
21 CA0 0.9083
22 G5A 0.9077
23 CUU 0.9055
24 GAP 0.8984
25 DGI 0.8977
26 GNH 0.8961
27 FZQ 0.8919
28 7D3 0.8915
29 DAL AMP 0.8905
30 H2U 0.8888
31 CH 0.8874
32 AZD 0.8849
33 PSU 0.8815
34 CK7 0.8802
35 AMP 0.8793
36 FN5 0.8781
37 6AD 0.8757
38 A5A 0.8754
39 HQ5 0.8747
40 DCM 0.8724
41 8LH 0.8718
42 8GD 0.8708
43 ATY 0.8691
44 BMQ 0.8679
45 U6M 0.8672
46 NUP 0.8671
47 DC 0.8658
48 DCP 0.8657
49 TMP 0.8642
50 C8M 0.8633
51 TTP 0.8581
52 ATP 0.8570
53 DDN 0.8568
54 C2R 0.8549
55 D4T 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VL8; Ligand: CTS; 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: 2vl8.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VL8; Ligand: UDP; 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: 2vl8.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VL8; Ligand: UDP; 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: 2vl8.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VL8; Ligand: CTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vl8.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VL8; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2vl8.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2VL8; Ligand: CTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2vl8.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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