Receptor
PDB id Resolution Class Description Source Keywords
1L4K 2.2 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT COMPLEXED WITH 3,4-DIMETHYLANILINE NICOTINATE MONONUCLEOTIDE SALMONELLA ENTERICA COBT COBALAMIN SYNTHETIC ENZYME PHOSPHORIBOSYLTRANSFERASEDIMETHYLBENZIMIDAZOLE NICOTINATE MONONUCLEOTIDE TRANSFERA
Ref.: CAPTURE OF A LABILE SUBSTRATE BY EXPULSION OF WATER MOLECULES FROM THE ACTIVE SITE OF NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA EN J.BIOL.CHEM. V. 277 41120 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
34A A:990;
 Valid;
 none;
 submit data
121.18 C8 H11 N Cc1cc...
NCN A:991;
 Valid;
 none;
 submit data
335.204 C11 H14 N O9 P c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KQI 1.4 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT E317A COMPLEXED WITH ITS REACTION SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM TRANSFERASE
Ref.: DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 34A; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 34A 1 1
2 4ZE 0.535714 0.652174
Ligand no: 2; Ligand: NCN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 DND 0.53 0.808219
4 NNR 0.492958 0.742424
5 8ID 0.462264 0.74359
6 A7R 0.45098 0.794521
7 NAD IBO 0.435185 0.791667
8 NAD TDB 0.435185 0.791667
9 NAJ 0.432432 0.780822
10 NAD 0.424779 0.805556
11 NHD 0.424779 0.805556
12 NFD 0.417391 0.763158
13 A3D 0.417391 0.794521
14 NGD 0.414414 0.74359
15 NBP 0.413223 0.74359
16 AMP NAD 0.412281 0.805556
17 N01 0.401709 0.780822
18 NDO 0.4 0.794521
Similar Ligands (3D)
Ligand no: 1; Ligand: 34A; Similar ligands found: 1017
No: Ligand Similarity coefficient
1 XBZ 1.0000
2 2MP 1.0000
3 43M 1.0000
4 275 1.0000
5 MWM 1.0000
6 TH0 1.0000
7 TDR 1.0000
8 URF 1.0000
9 1MC 1.0000
10 2YU 1.0000
11 MCT 0.9999
12 XYD 0.9993
13 MZG 0.9993
14 JZ2 0.9990
15 A1U 0.9986
16 4JJ 0.9982
17 ICP 0.9981
18 2AC 0.9978
19 5MH 0.9975
20 5UC 0.9974
21 WBU 0.9967
22 TLD 0.9965
23 4HO 0.9965
24 HT4 0.9964
25 5JC 0.9961
26 TM7 0.9961
27 MWJ 0.9952
28 4JO 0.9950
29 PYD 0.9944
30 BR9 0.9940
31 4CL 0.9931
32 27Y 0.9901
33 XYP 0.9898
34 LXC 0.9898
35 Y8I 0.9858
36 IUR 0.9853
37 3ZQ 0.9812
38 AHR 0.9778
39 4XR 0.9772
40 RCO 0.9722
41 40O 0.9718
42 OXE 0.9717
43 XYS 0.9713
44 IDH 0.9709
45 4JU 0.9706
46 ZZT 0.9700
47 FPY 0.9700
48 CAQ 0.9698
49 URA 0.9692
50 24B 0.9692
51 CRS 0.9689
52 284 0.9684
53 LG3 0.9680
54 3CH 0.9679
55 2MH 0.9675
56 NSP 0.9673
57 CYT 0.9669
58 8H8 0.9668
59 LG5 0.9668
60 1PT 0.9666
61 HMH 0.9665
62 26D 0.9664
63 RIP 0.9652
64 3Z7 0.9650
65 L89 0.9647
66 150 0.9642
67 25R 0.9633
68 2AF 0.9632
69 BEW 0.9631
70 2CQ 0.9629
71 FYU 0.9625
72 PXY 0.9623
73 1DW 0.9620
74 8GF 0.9617
75 92Z 0.9614
76 HQE 0.9610
77 0MK 0.9610
78 1WG 0.9605
79 8LG 0.9605
80 PCR 0.9604
81 285 0.9601
82 T6C 0.9600
83 2CH 0.9599
84 7CZ 0.9598
85 BVF 0.9597
86 FUL 0.9597
87 FUC 0.9586
88 HX3 0.9584
89 RSF 0.9584
90 FP2 0.9578
91 45C 0.9575
92 4ZC 0.9573
93 HTS 0.9569
94 F4Z 0.9567
95 1AN 0.9566
96 LG4 0.9566
97 ARB 0.9566
98 0TR 0.9563
99 PLQ 0.9562
100 JIF 0.9560
101 DA1 0.9560
102 G6D 0.9559
103 4CH 0.9557
104 4HS 0.9557
105 FPN 0.9554
106 7MH 0.9548
107 DFU 0.9542
108 NK 0.9540
109 M3T 0.9540
110 TC7 0.9535
111 YAN 0.9534
112 TH7 0.9534
113 B3R 0.9533
114 DEN 0.9532
115 938 0.9531
116 ADE 0.9531
117 4H2 0.9530
118 76X 0.9527
119 DUC 0.9518
120 93Q 0.9514
121 HEW 0.9514
122 HPA 0.9512
123 JFD 0.9511
124 BZF 0.9509
125 KOJ 0.9507
126 IOL 0.9498
127 BZI 0.9496
128 IND 0.9496
129 CIG 0.9495
130 PYG 0.9495
131 HGQ 0.9494
132 CYH 0.9492
133 FPI 0.9492
134 23A 0.9488
135 HBA 0.9485
136 BML 0.9484
137 282 0.9484
138 GLC 0.9483
139 JZ3 0.9482
140 HMU 0.9480
141 FCA 0.9480
142 ES4 0.9479
143 25W 0.9479
144 TMZ 0.9477
145 4XX 0.9476
146 10L 0.9475
147 DFB 0.9475
148 GVH 0.9474
149 PM6 0.9474
150 JAE 0.9470
151 BTE 0.9469
152 6X8 0.9469
153 4JN 0.9468
154 9HX 0.9468
155 4JP 0.9465
156 TMT 0.9464
157 9DA 0.9463
158 AMC 0.9462
159 BZX 0.9461
160 J1Z 0.9457
161 0R1 0.9454
162 LZ1 0.9454
163 0CT 0.9453
164 PHB 0.9452
165 7HP 0.9451
166 MPI 0.9451
167 7WA 0.9450
168 3XX 0.9449
169 XXR 0.9447
170 6MP 0.9443
171 0R0 0.9442
172 HAI 0.9441
173 H3M 0.9439
174 CXL 0.9429
175 9EW 0.9426
176 HBX 0.9424
177 BP1 0.9423
178 ECE 0.9423
179 HHQ 0.9422
180 3MC 0.9420
181 TBP 0.9418
182 270 0.9407
183 IDM 0.9407
184 HPY 0.9407
185 3FA 0.9406
186 5H1 0.9405
187 F05 0.9403
188 MBD 0.9403
189 14O 0.9402
190 Q88 0.9400
191 1XX 0.9398
192 NOJ 0.9398
193 SVN 0.9397
194 F81 0.9396
195 SYN 0.9394
196 AX7 0.9393
197 0RW 0.9391
198 6AI 0.9390
199 ABE 0.9390
200 ICC 0.9388
201 ES0 0.9380
202 GMN 0.9379
203 CWM 0.9377
204 ISN 0.9377
205 V55 0.9376
206 PY7 0.9376
207 2C9 0.9375
208 DUB 0.9375
209 ABN 0.9374
210 C2B 0.9372
211 4M4 0.9367
212 YCP 0.9365
213 RIB 0.9362
214 KKN 0.9361
215 6M9 0.9360
216 MLT 0.9355
217 ADZ 0.9354
218 SAL 0.9354
219 6MH 0.9353
220 64K 0.9352
221 7W4 0.9350
222 ABV 0.9350
223 FFP 0.9349
224 B53 0.9346
225 JBE 0.9346
226 F60 0.9344
227 HLR 0.9343
228 M1A 0.9342
229 QUZ 0.9342
230 BEZ 0.9341
231 5MB 0.9338
232 2K4 0.9337
233 V1L 0.9336
234 P92 0.9335
235 ES9 0.9332
236 XQ0 0.9331
237 OXQ 0.9331
238 6M4 0.9330
239 5MI 0.9329
240 NPY 0.9329
241 2MY 0.9328
242 DGJ 0.9326
243 11S 0.9325
244 FLM 0.9324
245 H8N 0.9323
246 YHO 0.9322
247 NBZ 0.9320
248 6PC 0.9320
249 BGC 0.9319
250 F0J 0.9317
251 2CM 0.9317
252 2MI 0.9315
253 FK1 0.9315
254 23W 0.9313
255 BEN 0.9313
256 JZ1 0.9311
257 ES7 0.9307
258 AZF 0.9306
259 1P7 0.9304
260 QWN 0.9304
261 3CE 0.9302
262 H4N 0.9302
263 TM4 0.9301
264 FUF 0.9300
265 KIV 0.9300
266 XM0 0.9300
267 4VP 0.9299
268 2D0 0.9297
269 LMR 0.9297
270 R8A 0.9297
271 7B4 0.9296
272 BR8 0.9296
273 RAM 0.9296
274 AX2 0.9295
275 2DR 0.9295
276 5WV 0.9294
277 IFM 0.9294
278 GYE 0.9293
279 SOE 0.9293
280 PYF 0.9292
281 3M0 0.9291
282 C2A 0.9291
283 G2F 0.9291
284 JZ9 0.9290
285 IPH 0.9290
286 24W 0.9290
287 4HM 0.9290
288 DTL 0.9289
289 BAM 0.9288
290 NCA 0.9286
291 HIU 0.9286
292 F5B 0.9285
293 5AN 0.9285
294 9DG 0.9285
295 67N 0.9284
296 DBH 0.9281
297 1LM 0.9280
298 BE2 0.9279
299 GBD 0.9278
300 GXE 0.9275
301 GCS 0.9274
302 5NU 0.9273
303 MBN 0.9273
304 3F0 0.9271
305 5Q0 0.9270
306 1SQ 0.9270
307 G4D 0.9269
308 5IQ 0.9267
309 6UA 0.9267
310 13X 0.9264
311 N5J 0.9260
312 286 0.9260
313 3U4 0.9258
314 6HQ 0.9258
315 9X7 0.9258
316 OXZ 0.9257
317 4YS 0.9256
318 4JL 0.9256
319 FBA 0.9255
320 1NP 0.9254
321 2KT 0.9254
322 S76 0.9253
323 OAA 0.9252
324 HY3 0.9252
325 ES6 0.9251
326 FCB 0.9251
327 HQY 0.9250
328 MAK 0.9250
329 WOT 0.9249
330 5SG 0.9248
331 ES1 0.9247
332 2IM 0.9247
333 JPZ 0.9246
334 3AP 0.9246
335 NMJ 0.9244
336 1LQ 0.9242
337 A2Q 0.9242
338 4AP 0.9242
339 PRO 0.9241
340 4NC 0.9238
341 2AP 0.9238
342 5ZE 0.9236
343 IT2 0.9235
344 GAL 0.9234
345 NOY 0.9234
346 NIO 0.9234
347 FOA 0.9234
348 G3F 0.9234
349 3AY 0.9233
350 DMD 0.9233
351 HVK 0.9233
352 WDL 0.9232
353 6CS 0.9232
354 GAG 0.9229
355 JZ0 0.9229
356 9PO 0.9229
357 3HA 0.9228
358 IFL 0.9228
359 EUG 0.9227
360 GUN 0.9226
361 RM4 0.9226
362 COU 0.9225
363 8NY 0.9223
364 FE DB1 0.9222
365 ARA 0.9222
366 HRZ 0.9222
367 1MR 0.9221
368 2A9 0.9220
369 3DM 0.9220
370 AZA 0.9220
371 YTB 0.9219
372 5RG 0.9218
373 2CK 0.9217
374 FA0 0.9216
375 03V 0.9215
376 24T 0.9215
377 8S0 0.9215
378 3MH 0.9214
379 4SV 0.9213
380 XAN 0.9213
381 PYC 0.9211
382 HH8 0.9209
383 4M0 0.9209
384 5CU 0.9209
385 NEQ 0.9209
386 QXW 0.9205
387 4CS 0.9205
388 R8S 0.9201
389 3ID 0.9200
390 8GC 0.9199
391 4XH 0.9198
392 2PC 0.9198
393 8CL 0.9197
394 25T 0.9196
395 TP5 0.9194
396 PZA 0.9193
397 P9P 0.9193
398 94N 0.9192
399 2AQ 0.9192
400 5B1 0.9190
401 R2B 0.9190
402 DHB 0.9190
403 4FS 0.9189
404 GTQ 0.9189
405 DOB 0.9188
406 H42 0.9186
407 MYJ 0.9184
408 280 0.9184
409 60P 0.9183
410 DGY 0.9183
411 MFB 0.9182
412 NBE 0.9181
413 LGA 0.9180
414 ERH 0.9179
415 IGA 0.9178
416 4A3 0.9176
417 BHA 0.9175
418 A2F 0.9175
419 QOS 0.9174
420 XX2 0.9173
421 3RK 0.9173
422 3HB 0.9173
423 DMG 0.9172
424 JB5 0.9171
425 JAB 0.9171
426 VAL 0.9171
427 3NT 0.9170
428 RNS 0.9170
429 EXO 0.9169
430 MNM 0.9169
431 UNU 0.9168
432 OHG 0.9168
433 LDU 0.9163
434 AC0 0.9161
435 VGL 0.9160
436 BOA 0.9159
437 3HM 0.9158
438 INO 0.9158
439 SS1 0.9158
440 DX4 0.9157
441 PCA 0.9157
442 93K 0.9156
443 NTN 0.9156
444 141 0.9154
445 DSN 0.9153
446 TTO 0.9153
447 BCP 0.9152
448 APY 0.9152
449 VNJ 0.9151
450 5AC 0.9150
451 5M0 0.9150
452 KSW 0.9150
453 1DH 0.9149
454 L3Q 0.9149
455 JLZ 0.9148
456 2ZX 0.9147
457 3DO 0.9147
458 URQ 0.9147
459 ES5 0.9146
460 2A7 0.9146
461 FHB 0.9145
462 54G 0.9145
463 RSO 0.9145
464 7VJ 0.9144
465 CYS 0.9144
466 DTI 0.9143
467 CFP 0.9140
468 JKE 0.9140
469 47J 0.9140
470 KG7 0.9138
471 MB3 0.9138
472 CEJ 0.9134
473 ADK 0.9133
474 12M 0.9133
475 2XX 0.9132
476 I3A 0.9132
477 9TZ 0.9129
478 RM1 0.9129
479 OCH 0.9128
480 E60 0.9128
481 82I 0.9126
482 2HO 0.9125
483 6AP 0.9125
484 BP9 0.9124
485 NPO 0.9123
486 DTU 0.9122
487 290 0.9120
488 IF7 0.9119
489 1XM 0.9117
490 KYD 0.9117
491 HHN 0.9116
492 AZG 0.9115
493 TZC 0.9114
494 PYJ 0.9114
495 TAR 0.9114
496 XBT 0.9114
497 6LW 0.9112
498 7EX 0.9112
499 JBN 0.9111
500 QSC 0.9111
501 6GU 0.9111
502 2FG 0.9110
503 CHB 0.9109
504 3AB 0.9106
505 DXX 0.9105
506 5CL 0.9105
507 SER 0.9105
508 9TW 0.9102
509 HSE 0.9101
510 ASO 0.9100
511 NNO 0.9100
512 5HN 0.9100
513 FDB 0.9099
514 C5J 0.9099
515 HH5 0.9098
516 SWD 0.9095
517 CRN 0.9092
518 1WD 0.9091
519 5MK 0.9091
520 CIZ 0.9091
521 4JM 0.9090
522 GLA 0.9090
523 ISE 0.9090
524 MLI 0.9089
525 0W8 0.9089
526 2H5 0.9089
527 7HQ 0.9086
528 EQT 0.9086
529 GOO 0.9086
530 PAF 0.9086
531 MLA 0.9085
532 URC 0.9084
533 YH7 0.9083
534 BE7 0.9083
535 36R 0.9078
536 M58 0.9078
537 7WV 0.9077
538 OVV 0.9077
539 PIH 0.9077
540 717 0.9077
541 273 0.9077
542 3PY 0.9075
543 1XN 0.9075
544 TCZ 0.9075
545 GAB 0.9074
546 1AB 0.9073
547 5VM 0.9073
548 H76 0.9073
549 MMZ 0.9073
550 BTY 0.9072
551 PBC 0.9072
552 3SK 0.9072
553 B55 0.9071
554 HHA 0.9070
555 53C 0.9070
556 0P6 0.9069
557 42A 0.9069
558 EDG 0.9068
559 3MA 0.9066
560 LCN 0.9066
561 VGD 0.9065
562 FAN 0.9065
563 IPB 0.9065
564 PXL 0.9063
565 261 0.9063
566 2EC 0.9063
567 C21 0.9062
568 HYN 0.9062
569 WCE 0.9058
570 GIO 0.9058
571 LZM 0.9057
572 FP1 0.9056
573 XQG 0.9056
574 ET2 0.9055
575 SX1 0.9053
576 MZ0 0.9053
577 CLW 0.9052
578 0CU 0.9052
579 HSL 0.9051
580 TFB 0.9050
581 HGW 0.9049
582 URP 0.9049
583 ASP 0.9047
584 VNL 0.9044
585 CWS 0.9040
586 75K 0.9039
587 8TX 0.9038
588 9TY 0.9037
589 JFJ 0.9037
590 1P8 0.9035
591 INS 0.9034
592 AGK 0.9033
593 ASN 0.9033
594 1DU 0.9031
595 PZI 0.9030
596 NIZ 0.9028
597 KJY 0.9027
598 SEJ 0.9027
599 14J 0.9026
600 IHB 0.9026
601 Z82 0.9026
602 RP7 0.9024
603 KUF 0.9024
604 260 0.9023
605 93B 0.9022
606 B57 0.9022
607 PAB 0.9022
608 DHK 0.9022
609 KT7 0.9019
610 X6X 0.9019
611 BRT 0.9018
612 3BZ 0.9017
613 86J 0.9017
614 YIO 0.9017
615 9MG 0.9016
616 FBB 0.9015
617 6F0 0.9015
618 MRY 0.9015
619 278 0.9015
620 NVI 0.9014
621 2ZV 0.9011
622 LRH 0.9010
623 8CM 0.9010
624 L60 0.9010
625 XAZ 0.9010
626 DAB 0.9009
627 M2H 0.9009
628 GXL 0.9007
629 MAE 0.9007
630 9CL 0.9006
631 149 0.9006
632 5OB 0.9005
633 265 0.9005
634 GRE 0.9003
635 LDP 0.9003
636 K2T 0.9002
637 6M1 0.9000
638 GIV 0.9000
639 ES2 0.8997
640 BZ3 0.8996
641 ALL 0.8996
642 54D 0.8994
643 PXM 0.8993
644 ALO 0.8992
645 5XC 0.8990
646 A7W 0.8990
647 WOO 0.8989
648 FOT 0.8987
649 THR 0.8987
650 O7U 0.8986
651 35C 0.8985
652 MR1 0.8983
653 PA1 0.8983
654 5JQ 0.8981
655 GIF 0.8981
656 VOH 0.8981
657 MBG 0.8980
658 FRU 0.8978
659 P3K 0.8976
660 UNC 0.8976
661 8IG 0.8975
662 XIX 0.8972
663 IP0 0.8972
664 M1E 0.8971
665 MAN 0.8971
666 PBZ 0.8969
667 FQI 0.8968
668 ZZ3 0.8964
669 GXY 0.8963
670 ITN 0.8962
671 GAF 0.8962
672 DIE 0.8961
673 8WO 0.8961
674 5JL 0.8960
675 RUU 0.8960
676 SMV 0.8960
677 1P3 0.8960
678 JBK 0.8959
679 HBD 0.8959
680 BHO 0.8957
681 HJP 0.8957
682 1Y6 0.8955
683 SWA 0.8952
684 ABA 0.8950
685 3OC 0.8950
686 XIY 0.8950
687 MEW 0.8949
688 Z6J 0.8948
689 LGC 0.8947
690 BSX 0.8946
691 ISZ 0.8946
692 4AA 0.8943
693 BVC 0.8943
694 1GN 0.8943
695 MZW 0.8940
696 E7Z 0.8939
697 FPK 0.8939
698 EKZ 0.8938
699 AZ8 0.8935
700 PE0 0.8934
701 XUL 0.8934
702 FLA 0.8934
703 PEA 0.8933
704 M1Q 0.8932
705 DMI 0.8930
706 AC6 0.8930
707 ZBT 0.8930
708 MRW 0.8929
709 4MA 0.8929
710 SJ5 0.8929
711 7WG 0.8928
712 C2U 0.8925
713 ORO 0.8922
714 DMJ 0.8920
715 2HQ 0.8919
716 39A 0.8917
717 3Z8 0.8915
718 9YL 0.8912
719 UGC 0.8911
720 4JT 0.8910
721 LER 0.8910
722 NXA 0.8908
723 174 0.8905
724 HFB 0.8903
725 7W1 0.8902
726 G5V 0.8901
727 DOR 0.8901
728 12Q 0.8900
729 ICF 0.8899
730 32X 0.8897
731 BMA 0.8897
732 CXF 0.8897
733 PFB 0.8897
734 FUB 0.8896
735 J9W 0.8895
736 Q24 0.8893
737 SS2 0.8892
738 1M2 0.8891
739 QWW 0.8891
740 DIN 0.8891
741 CGB 0.8891
742 4AX 0.8890
743 SW7 0.8890
744 42J 0.8889
745 AUD 0.8889
746 KPL 0.8888
747 IMR 0.8887
748 AJ2 0.8887
749 KBG 0.8886
750 4PW 0.8885
751 SKM 0.8885
752 4FA 0.8885
753 XRG 0.8884
754 8WT 0.8884
755 BDP 0.8882
756 TTL 0.8881
757 QX2 0.8880
758 IJZ 0.8880
759 826 0.8879
760 HQT 0.8878
761 OXC 0.8875
762 MO8 0.8874
763 IV2 0.8873
764 R1X 0.8871
765 MSN 0.8871
766 GLU 0.8870
767 M5K 0.8869
768 5QX 0.8868
769 JZ5 0.8868
770 P2D 0.8868
771 SKA 0.8864
772 DIU 0.8862
773 SRT 0.8861
774 UY7 0.8860
775 DRL 0.8859
776 FDK 0.8857
777 DYA 0.8852
778 AQO 0.8851
779 MWP 0.8851
780 F31 0.8851
781 UEG 0.8850
782 4HC 0.8850
783 O72 0.8849
784 69O 0.8849
785 P72 0.8845
786 SHG 0.8845
787 3SL 0.8845
788 HVQ 0.8843
789 F9Y 0.8842
790 BNS 0.8839
791 KJH 0.8837
792 D1X 0.8837
793 G3E 0.8836
794 ILE 0.8834
795 DHQ 0.8832
796 HIO 0.8828
797 DQN 0.8827
798 PCI 0.8827
799 CFI 0.8827
800 JBQ 0.8823
801 3PF 0.8823
802 GDE 0.8822
803 BVG 0.8821
804 3WA 0.8820
805 A65 0.8819
806 40E 0.8817
807 BCF 0.8816
808 PRS 0.8814
809 HXX 0.8813
810 34D 0.8811
811 5RN 0.8811
812 2LP 0.8810
813 EA1 0.8809
814 MT0 0.8809
815 FGZ 0.8809
816 BBF 0.8807
817 JBH 0.8806
818 LT2 0.8806
819 CTL 0.8806
820 FBM 0.8805
821 RHU 0.8804
822 32O 0.8804
823 AAE 0.8803
824 M2K 0.8803
825 AW5 0.8802
826 PZM 0.8802
827 F9P 0.8802
828 1LN 0.8801
829 M0Q 0.8799
830 I1N 0.8799
831 HCS 0.8799
832 4Z4 0.8798
833 IPZ 0.8798
834 2BG 0.8798
835 ZXD 0.8796
836 TFU 0.8795
837 F3B 0.8791
838 HZQ 0.8790
839 95Z 0.8789
840 1U6 0.8789
841 DBB 0.8786
842 A3B 0.8786
843 AEF 0.8786
844 NDM 0.8785
845 JA8 0.8784
846 IBF 0.8782
847 7NI 0.8782
848 TLA 0.8781
849 2RA 0.8779
850 RB5 0.8779
851 3V4 0.8777
852 OK7 0.8776
853 SHA 0.8775
854 LYL 0.8770
855 5QY 0.8769
856 FH2 0.8768
857 PEL 0.8768
858 HSM 0.8768
859 SIN 0.8766
860 8ZE 0.8765
861 7VS 0.8764
862 CEE 0.8763
863 TZE 0.8762
864 DAS 0.8761
865 KIB 0.8761
866 AFR 0.8761
867 5RO 0.8760
868 MRZ 0.8760
869 JZ4 0.8758
870 ORN 0.8753
871 B24 0.8752
872 4XV 0.8751
873 IFP 0.8750
874 SYV 0.8749
875 5WX 0.8749
876 X0V 0.8748
877 495 0.8745
878 BDF 0.8745
879 6RQ 0.8744
880 NVA 0.8744
881 HZP 0.8741
882 Q6T 0.8739
883 3IT 0.8739
884 51R 0.8739
885 173 0.8738
886 MQN 0.8737
887 ICO 0.8737
888 1AC 0.8735
889 948 0.8733
890 4XS 0.8731
891 HLZ 0.8728
892 SE2 0.8728
893 7MU 0.8728
894 PEP 0.8728
895 OVM 0.8726
896 3MT 0.8726
897 3MB 0.8725
898 4YO 0.8725
899 MUA 0.8724
900 PKU 0.8721
901 DBJ 0.8720
902 TEO 0.8720
903 XYL 0.8720
904 DHS 0.8720
905 FBV 0.8719
906 GLF 0.8719
907 EV0 0.8718
908 PBE 0.8716
909 HYP 0.8715
910 DPR 0.8714
911 J5I 0.8713
912 4JQ 0.8713
913 D48 0.8708
914 4SX 0.8708
915 7N0 0.8707
916 DBX 0.8704
917 KJU 0.8703
918 2AL 0.8703
919 0TU 0.8699
920 TIU 0.8699
921 EYK 0.8698
922 3FH 0.8697
923 BAE 0.8696
924 LSA 0.8694
925 94B 0.8693
926 AKB 0.8693
927 1DV 0.8691
928 PRY 0.8690
929 SOR 0.8688
930 ARW 0.8687
931 M6N 0.8686
932 FA1 0.8686
933 4P5 0.8686
934 XHP 0.8685
935 M0W 0.8684
936 SF9 0.8683
937 PQ0 0.8681
938 HX2 0.8680
939 R8V 0.8678
940 AKH 0.8677
941 42C 0.8677
942 1DQ 0.8677
943 OTW 0.8668
944 2MN 0.8666
945 PRF 0.8666
946 HY1 0.8664
947 B62 0.8662
948 TEP 0.8660
949 I2M 0.8659
950 DCY 0.8657
951 KP6 0.8655
952 ZWZ 0.8654
953 0FO 0.8654
954 6KX 0.8652
955 EOL 0.8652
956 192 0.8651
957 TWO 0.8651
958 YRL 0.8650
959 PHU 0.8650
960 QBK 0.8644
961 AMT 0.8644
962 H7Y 0.8640
963 0JD 0.8640
964 44W 0.8639
965 N2I 0.8637
966 HDA 0.8634
967 XLS 0.8632
968 AZ9 0.8631
969 LFR 0.8627
970 AEH 0.8627
971 0HO 0.8625
972 37T 0.8622
973 DQU 0.8621
974 DHR 0.8620
975 B60 0.8618
976 K5W 0.8617
977 MFU 0.8617
978 ATQ 0.8617
979 COI 0.8616
980 680 0.8615
981 GJS 0.8614
982 HQD 0.8613
983 NTM 0.8608
984 BEA 0.8605
985 GCB 0.8605
986 XCZ 0.8604
987 N8P 0.8603
988 5GU 0.8600
989 GLT 0.8600
990 KDV 0.8599
991 PBR 0.8597
992 MVN 0.8595
993 PYQ 0.8593
994 OW4 0.8593
995 MET 0.8590
996 2AK 0.8590
997 SFU 0.8590
998 92K 0.8588
999 3R6 0.8580
1000 KLW 0.8577
1001 SXS 0.8576
1002 12B 0.8570
1003 2FY 0.8568
1004 PHT 0.8563
1005 D07 0.8559
1006 MAQ 0.8556
1007 0HN 0.8551
1008 N8Y 0.8551
1009 NQ 0.8550
1010 TGX 0.8549
1011 4ZA 0.8548
1012 FBT 0.8548
1013 44V 0.8547
1014 ADA 0.8540
1015 GM7 0.8536
1016 VK3 0.8534
1017 QAT 0.8523
Ligand no: 2; Ligand: NCN; Similar ligands found: 98
No: Ligand Similarity coefficient
1 AMP 0.9424
2 CNU 0.9356
3 G 0.9315
4 IMP 0.9309
5 5GP 0.9288
6 C2R 0.9231
7 8BR 0.9229
8 DU 0.9224
9 TMP 0.9209
10 C5P 0.9197
11 U 0.9195
12 U5P 0.9190
13 5HU 0.9166
14 DA 0.9157
15 UFP 0.9146
16 5FU 0.9141
17 5BU 0.9136
18 TKW 0.9135
19 UMP 0.9130
20 BRU 0.9125
21 AMZ 0.9120
22 C 0.9115
23 NIA 0.9103
24 FMP 0.9101
25 5CM 0.9094
26 PFU 0.9060
27 5IU 0.9049
28 QBT 0.9033
29 FNU 0.9029
30 IMU 0.9014
31 XMP 0.9007
32 NYM 0.9004
33 DUS 0.8991
34 8OP 0.8988
35 IRP 0.8981
36 6MA 0.8975
37 H2U 0.8973
38 2DT 0.8973
39 D4M 0.8973
40 DCM 0.8960
41 D5M 0.8951
42 CAR 0.8942
43 DGP 0.8934
44 CH 0.8928
45 FN5 0.8928
46 5HM 0.8912
47 6MZ 0.8906
48 BVP 0.8900
49 9L3 0.8890
50 FDM 0.8884
51 AS 0.8877
52 6CG 0.8875
53 QIU 0.8871
54 N5O 0.8867
55 DG 0.8859
56 ZAS 0.8857
57 71V 0.8857
58 T3S 0.8854
59 UMC 0.8850
60 J7C 0.8830
61 93A 0.8825
62 M8Q 0.8823
63 U4S 0.8807
64 6OG 0.8801
65 8GM 0.8799
66 6RE 0.8799
67 NEC 0.8796
68 DC 0.8795
69 16B 0.8789
70 Z8B 0.8772
71 AOC 0.8771
72 PSU 0.8769
73 EU2 0.8765
74 NWQ 0.8747
75 7D5 0.8746
76 MTA 0.8737
77 8EQ 0.8736
78 SU1 0.8734
79 ATM 0.8727
80 BMP 0.8724
81 BMQ 0.8722
82 G7M 0.8718
83 8OG 0.8712
84 FYK 0.8708
85 DOC 0.8701
86 NUP 0.8672
87 A3N 0.8660
88 DDN 0.8658
89 1QJ 0.8620
90 ICR 0.8615
91 43J 0.8610
92 PP3 0.8606
93 U3S 0.8604
94 4ZK 0.8592
95 U1S 0.8575
96 U2S 0.8570
97 CA0 0.8562
98 0JO 0.8543
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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